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Signal recognition particle 54 kDa protein

Component of the signal recognition particle (SRP) complex, a ribonucleoprotein complex that mediates the cotranslational targeting of secretory and membrane proteins to the endoplasmic reticulum (ER). As part of the SRP complex, associates with the SRP receptor (SR) component SRPRA to target secretory proteins to the endoplasmic reticulum membrane. Binds to the signal sequence of presecretory proteins when they emerge from the ribosomes. Displays basal GTPase activity, and stimulates reciprocal GTPase activation of the SR subunit SRPRA. Forms a guanosine 5'-triphosphate (GTP)-dependent complex with the SR subunit SRPRA. SR compaction and GTPase mediated rearrangement of SR drive SRP-mediated cotranslational protein translocation into the ER. Requires the presence of SRP9/SRP14 and/or SRP19 to stably interact with RNA. Plays a role in proliferation and differentiation of granulocytic cells, neutrophils migration capacity and exocrine pancreas development.

AlphaFold DB , UniProt , Accession G4VKV4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 538 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.9Very low68.7Low138 Ų13848.7 Ų48.768%0.6824%0.238SC*.  0119.70-83.6-177.1-100.500109.5L3 A4 E5M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 2.85Å; M1-A4 HydrophobicContact CB-CB 4.12Å; M1-A4 WeakPolarHBondContact O-CA 2.9Å; M1-A4 VanDerWaalsContact O-CB 3.24Å; M1-A4 WeakPolarHBondContact O-CB 3.38Å; M1-A4 PolarHBondContact O-N 2.95Å; M1-E5 PolarHBondContact O-N 3.41Å
2V49.3Very low69.9Low26 Ų2651.7 Ų51.716%0.15826%0.256CS..Hα-helixtrans-73.2-25.2-176.6-178.70000112.6A4 E5 L6 H253 A254 K255V2-A4 PolarHBondContact O-N 2.66Å; V2-E5 WeakPolarHBondContact O-CA 3.39Å; V2-E5 WeakPolarHBondContact O-CB 3.47Å; V2-E5 PolarHBondContact O-N 2.9Å; V2-L6 PolarHBondContact O-N 3.18Å; V2-H253 HydrophobicContact CG2-CB 4.26Å; V2-H253 WeakPolarHBondContact CG2-O 3.11Å; V2-A254 WeakPolarHBondContact CB-O 3.26Å; V2-K255 HydrophobicContact CB-CG 4.26Å; V2-K255 HydrophobicContact CG1-CB 3.99Å; V2-K255 HydrophobicContact CG1-CG 3.45Å; V2-K255 VanDerWaalsContact CG1-CG 3.45Å
3L61Low70.9Confident28 Ų2847.7 Ų47.715%0.14724%0.236CC..Hα-helixtrans-55.3-34.6163.4-75.9170.2000112.5M1 E5 G7 L250 F290 L294M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 2.85Å; L3-E5 VanDerWaalsContact C-N 3.33Å; L3-G7 WeakPolarHBondContact O-CA 3.5Å; L3-G7 PolarHBondContact O-N 3.22Å; L3-L250 HydrophobicContact CD1-CD2 4.02Å; L3-F290 HydrophobicContact CD1-CE2 4.01Å; L3-F290 HydrophobicContact CD1-CZ 4.19Å; L3-F290 HydrophobicContact CD2-CZ 3.96Å; L3-L294 HydrophobicContact CD2-CD1 4.12Å
4A64Low71.5Confident28 Ų2845.4 Ų45.423%0.23123%0.225CC..Hα-helixtrans-74.2-24.2175.100000112.2M1 V2 R8M1-A4 HydrophobicContact CB-CB 4.12Å; M1-A4 WeakPolarHBondContact O-CA 2.9Å; M1-A4 VanDerWaalsContact O-CB 3.24Å; M1-A4 WeakPolarHBondContact O-CB 3.38Å; M1-A4 PolarHBondContact O-N 2.95Å; V2-A4 PolarHBondContact O-N 2.66Å; A4-R8 VanDerWaalsContact O-CB 3.26Å; A4-R8 WeakPolarHBondContact O-CB 3.25Å; A4-R8 WeakPolarHBondContact O-CG 3.44Å; A4-R8 PolarHBondContact O-N 3.44Å; A4-R8 PolarHBondContact O-NE 3.35Å; A4-R8 VanDerWaalsContact O-NE 3.12Å
5E69Low72Confident81 Ų8153.1 Ų53.138%0.37925%0.251SS..Hα-helixtrans-77.8-48.2172.7-168.4-179.7162.900111.9M1 V2 L3 G7 R8 K9M1-E5 PolarHBondContact O-N 3.41Å; V2-E5 WeakPolarHBondContact O-CA 3.39Å; V2-E5 WeakPolarHBondContact O-CB 3.47Å; V2-E5 PolarHBondContact O-N 2.9Å; L3-E5 VanDerWaalsContact C-N 3.33Å; E5-G7 PolarHBondContact O-N 3.27Å; E5-R8 PolarHBondContact O-N 3.29Å; E5-R8 VanDerWaalsContact O-N 3.16Å; E5-K9 WeakPolarHBondContact O-CG 3.34Å; E5-K9 PolarHBondContact O-N 3.16Å; E5-K9 WeakPolarHBondContact OE1-CE 3.33Å; E5-K9 IonicContact OE1-NZ 3.14Å; E5-K9 PolarHBondContact OE1-NZ 3.45Å
6L73.2Confident72.4Confident9 Ų952.9 Ų52.95%0.04726%0.257CS..Hα-helixtrans-52.4-48.8170.4174.760.3000109.9V2 R8 K9 I10 A38 L39 A42 L294V2-L6 PolarHBondContact O-N 3.18Å; L6-R8 PolarHBondContact O-N 3.4Å; L6-K9 PolarHBondContact O-N 3.44Å; L6-I10 HydrophobicContact CD1-CD1 3.69Å; L6-I10 HydrophobicContact CD1-CG1 4.16Å; L6-I10 HydrophobicContact CG-CD1 3.92Å; L6-I10 WeakPolarHBondContact O-CG1 3.4Å; L6-I10 PolarHBondContact O-N 2.84Å; L6-A38 HydrophobicContact CD1-CB 3.76Å; L6-A38 WeakPolarHBondContact CD1-O 3.35Å; L6-L39 HydrophobicContact CD1-CD2 4.16Å; L6-L39 HydrophobicContact CD2-CD2 4.3Å; L6-A42 HydrophobicContact CB-CB 4.47Å; L6-A42 HydrophobicContact CD1-CB 4.12Å; L6-A42 HydrophobicContact CD2-CB 3.9Å; L6-A42 HydrophobicContact CG-CB 4.39Å; L6-L294 HydrophobicContact CD2-CD1 3.97Å; L6-L294 HydrophobicContact CD2-CD2 4.26Å; L6-L294 HydrophobicContact CD2-CG 4.3Å; L6-L294 HydrophobicContact CG-CD2 4.25Å
7G75.7Confident72.7Confident5 Ų549.8 Ų49.85%0.05224%0.242CC..Hα-helixtrans-63.2-41.1178.600000113.8L3 E5 T11 L294L3-G7 WeakPolarHBondContact O-CA 3.5Å; L3-G7 PolarHBondContact O-N 3.22Å; E5-G7 PolarHBondContact O-N 3.27Å; G7-T11 WeakPolarHBondContact O-CB 3.39Å; G7-T11 PolarHBondContact O-N 3.47Å; G7-T11 PolarHBondContact O-OG1 3.21Å; G7-L294 WeakPolarHBondContact CA-O 3.49Å
8R77.3Confident72.7Confident123 Ų12348.7 Ų48.746%0.46425%0.246SC..Hα-helixtrans-61.7-44.3172.1-80.9179-59.3155.34.4111.9A4 E5 L6 T11 N12A4-R8 VanDerWaalsContact O-CB 3.26Å; A4-R8 WeakPolarHBondContact O-CB 3.25Å; A4-R8 WeakPolarHBondContact O-CG 3.44Å; A4-R8 PolarHBondContact O-N 3.44Å; A4-R8 PolarHBondContact O-NE 3.35Å; A4-R8 VanDerWaalsContact O-NE 3.12Å; E5-R8 PolarHBondContact O-N 3.29Å; E5-R8 VanDerWaalsContact O-N 3.16Å; L6-R8 PolarHBondContact O-N 3.4Å; R8-T11 PolarHBondContact O-N 3.18Å; R8-N12 VanDerWaalsContact O-CB 3.26Å; R8-N12 WeakPolarHBondContact O-CB 3.45Å; R8-N12 PolarHBondContact O-N 3.42Å; R8-N12 PolarHBondContact O-ND2 3.18Å; R8-N12 PolarHBondContact O-OD1 2.85Å
9K81Confident72.9Confident76 Ų7653.4 Ų53.433%0.3327%0.272SS..Hα-helixtrans-62.3-47178.5-71.1-173.9-174-176.10111.5E5 L6 N12 A13 A38 E41E5-K9 WeakPolarHBondContact O-CG 3.34Å; E5-K9 PolarHBondContact O-N 3.16Å; E5-K9 WeakPolarHBondContact OE1-CE 3.33Å; E5-K9 IonicContact OE1-NZ 3.14Å; E5-K9 PolarHBondContact OE1-NZ 3.45Å; L6-K9 PolarHBondContact O-N 3.44Å; K9-N12 PolarHBondContact O-N 2.95Å; K9-A13 PolarHBondContact O-N 3.3Å; K9-A38 HydrophobicContact CB-CB 3.84Å; K9-A38 HydrophobicContact CD-CB 4.1Å; K9-E41 IonicContact NZ-OE1 2.78Å; K9-E41 IonicContact NZ-OE2 2.82Å; K9-E41 PolarHBondContact NZ-OE2 3.05Å
10I79Confident73.1Confident0 Ų051.8 Ų51.80%027%0.267CS..Hα-helixtrans-66-43.6176.9-62.2170.4000110.5L6 N12 A13 L14 I35 L294 L295L6-I10 HydrophobicContact CD1-CD1 3.69Å; L6-I10 HydrophobicContact CD1-CG1 4.16Å; L6-I10 HydrophobicContact CG-CD1 3.92Å; L6-I10 WeakPolarHBondContact O-CG1 3.4Å; L6-I10 PolarHBondContact O-N 2.84Å; I10-N12 VanDerWaalsContact C-N 3.28Å; I10-N12 PolarHBondContact O-N 3.35Å; I10-A13 WeakPolarHBondContact O-CB 3.43Å; I10-A13 PolarHBondContact O-N 3.13Å; I10-L14 HydrophobicContact CG2-CD1 3.97Å; I10-L14 HydrophobicContact CG2-CG 4.19Å; I10-L14 VanDerWaalsContact O-CG 3.3Å; I10-L14 WeakPolarHBondContact O-CG 3.45Å; I10-L14 PolarHBondContact O-N 3.24Å; I10-I35 HydrophobicContact CD1-CG2 4.49Å; I10-I35 HydrophobicContact CG1-CG1 4.41Å; I10-I35 HydrophobicContact CG1-CG2 4.33Å; I10-I35 HydrophobicContact CG2-CD1 4.18Å; I10-I35 HydrophobicContact CG2-CG1 4.25Å; I10-L294 HydrophobicContact CD1-CD2 3.6Å; I10-L295 HydrophobicContact CB-CD2 4.28Å; I10-L295 HydrophobicContact CG2-CD2 3.35Å
11T78.9Confident73.1Confident22 Ų2255.7 Ų55.714%0.13529%0.293CS..Hα-helixtrans-59.7-41.4176.6-56.20000111G7 R8 L14 R15 L295G7-T11 WeakPolarHBondContact O-CB 3.39Å; G7-T11 PolarHBondContact O-N 3.47Å; G7-T11 PolarHBondContact O-OG1 3.21Å; R8-T11 PolarHBondContact O-N 3.18Å; T11-L14 PolarHBondContact O-N 3.02Å; T11-R15 WeakPolarHBondContact O-CB 3.34Å; T11-R15 VanDerWaalsContact O-CG 3.32Å; T11-R15 WeakPolarHBondContact O-CG 3.27Å; T11-R15 PolarHBondContact O-N 3.45Å; T11-L295 PolarHBondContact OG1-O 3.37Å
12N83Confident74.5Confident84 Ų8455.3 Ų55.345%0.44929%0.293SS..Hα-helixtrans-65.6-41.5177-70.8-16.2000111.3R8 K9 I10 R15 S16R8-N12 VanDerWaalsContact O-CB 3.26Å; R8-N12 WeakPolarHBondContact O-CB 3.45Å; R8-N12 PolarHBondContact O-N 3.42Å; R8-N12 PolarHBondContact O-ND2 3.18Å; R8-N12 PolarHBondContact O-OD1 2.85Å; K9-N12 PolarHBondContact O-N 2.95Å; I10-N12 VanDerWaalsContact C-N 3.28Å; I10-N12 PolarHBondContact O-N 3.35Å; N12-R15 PolarHBondContact O-N 3.21Å; N12-S16 PolarHBondContact O-N 3.38Å
13A82.1Confident75.9Confident0 Ų055.2 Ų55.20%029%0.291CS..Hα-helixtrans-63.5-39.1173.300000112.1K9 I10 S16 L17 E34 I35K9-A13 PolarHBondContact O-N 3.3Å; I10-A13 WeakPolarHBondContact O-CB 3.43Å; I10-A13 PolarHBondContact O-N 3.13Å; A13-S16 PolarHBondContact O-N 3.35Å; A13-S16 PolarHBondContact O-OG 3.37Å; A13-L17 PolarHBondContact O-N 2.88Å; A13-E34 HydrophobicContact CB-CB 4.08Å; A13-E34 WeakPolarHBondContact CB-OE2 3.41Å; A13-I35 HydrophobicContact CB-CG1 4.08Å
14L79.3Confident76.9Confident16 Ų1656.8 Ų56.88%0.08430%0.3CS..Hα-helixtrans-72.5-28.9175.2-63.8175.6000112.4I10 T11 L17 L31 I35 Q76 L295I10-L14 HydrophobicContact CG2-CD1 3.97Å; I10-L14 HydrophobicContact CG2-CG 4.19Å; I10-L14 VanDerWaalsContact O-CG 3.3Å; I10-L14 WeakPolarHBondContact O-CG 3.45Å; I10-L14 PolarHBondContact O-N 3.24Å; T11-L14 PolarHBondContact O-N 3.02Å; L14-L17 WeakPolarHBondContact O-CB 3.4Å; L14-L31 HydrophobicContact CD2-CD1 4.4Å; L14-I35 HydrophobicContact CD2-CD1 4.36Å; L14-Q76 HydrophobicContact CD2-CG 4.07Å; L14-L295 HydrophobicContact CD1-CD1 4.26Å; L14-L295 HydrophobicContact CD1-CD2 4Å
15R78.8Confident77.9Confident160 Ų16059.6 Ų59.660%0.60431%0.308SS*.Hα-helixtrans-73.5-35.3171.6-76.7-175.6-147.6163.78.5112.1T11 N12 L17 G18 N19T11-R15 WeakPolarHBondContact O-CB 3.34Å; T11-R15 VanDerWaalsContact O-CG 3.32Å; T11-R15 WeakPolarHBondContact O-CG 3.27Å; T11-R15 PolarHBondContact O-N 3.45Å; N12-R15 PolarHBondContact O-N 3.21Å; R15-L17 PolarHBondContact O-N 3.48Å; R15-G18 WeakPolarHBondContact O-CA 3.32Å; R15-G18 PolarHBondContact O-N 2.88Å; R15-N19 PolarHBondContact O-N 3.34Å
16S79Confident78.7Confident50 Ų5060.9 Ų60.935%0.3532%0.317SS..Hα-helixtrans-62.5-34.4176.773.20000111N12 A13 G18 N19 A20N12-S16 PolarHBondContact O-N 3.38Å; A13-S16 PolarHBondContact O-N 3.35Å; A13-S16 PolarHBondContact O-OG 3.37Å; S16-G18 PolarHBondContact O-N 3.16Å; S16-N19 PolarHBondContact O-N 3.06Å; S16-N19 VanDerWaalsContact O-N 3.08Å; S16-A20 PolarHBondContact O-N 2.95Å; S16-A20 VanDerWaalsContact O-N 3.14Å
17L77.4Confident79.3Confident0 Ų062.3 Ų62.30%033%0.326CS..Hα-helixtrans-59.7-33168.7-16669.1000113.3A13 L14 R15 N19 I23 V27 L31 R72 I75 Q76A13-L17 PolarHBondContact O-N 2.88Å; L14-L17 WeakPolarHBondContact O-CB 3.4Å; R15-L17 PolarHBondContact O-N 3.48Å; L17-N19 VanDerWaalsContact C-N 3.31Å; L17-I23 HydrophobicContact CD1-CD1 4.42Å; L17-I23 HydrophobicContact CD1-CG1 4.48Å; L17-I23 HydrophobicContact CD1-CG2 4.13Å; L17-V27 HydrophobicContact CD1-CG1 3.79Å; L17-L31 HydrophobicContact CB-CD1 3.81Å; L17-L31 HydrophobicContact CD1-CD1 3.98Å; L17-L31 HydrophobicContact CD2-CD1 3.99Å; L17-L31 HydrophobicContact CG-CD1 4.14Å; L17-R72 HydrophobicContact CD2-CB 4.31Å; L17-R72 HydrophobicContact CG-CG 4.4Å; L17-R72 PolarHBondContact O-NE 3.48Å; L17-I75 HydrophobicContact CD1-CD1 4.2Å; L17-I75 HydrophobicContact CD2-CB 3.98Å; L17-I75 HydrophobicContact CD2-CD1 4.29Å; L17-I75 HydrophobicContact CD2-CG2 3.88Å; L17-Q76 HydrophobicContact CD2-CG 4.4Å
18G73.3Confident79.8Confident31 Ų3162.2 Ų62.232%0.3233%0.325SS..Hα-helixtrans-67.5-30.817500000113.3R15 S16 R72R15-G18 WeakPolarHBondContact O-CA 3.32Å; R15-G18 PolarHBondContact O-N 2.88Å; S16-G18 PolarHBondContact O-N 3.16Å; G18-R72 PolarHBondContact O-NH1 2.99Å; G18-R72 PolarHBondContact O-NH2 3.41Å
19N76.2Confident80.3Confident138 Ų13858 Ų5874%0.73831%0.312SS*.Hα-helixtrans-86.3-22.4-179.4-66-18.5000113.2R15 S16 L17 T21R15-N19 PolarHBondContact O-N 3.34Å; S16-N19 PolarHBondContact O-N 3.06Å; S16-N19 VanDerWaalsContact O-N 3.08Å; L17-N19 VanDerWaalsContact C-N 3.31Å; N19-T21 PolarHBondContact O-N 3.35Å
20A76.4Confident80.7Confident21 Ų2157.7 Ų57.717%0.17432%0.319CS..  trans-67.2121.5177.400000111S16 V27 R72S16-A20 PolarHBondContact O-N 2.95Å; S16-A20 VanDerWaalsContact O-N 3.14Å; A20-V27 HydrophobicContact CB-CG1 4.1Å; A20-V27 HydrophobicContact CB-CG2 4.4Å; A20-R72 PolarHBondContact O-NH2 3.49Å
21T73.5Confident81.1Confident134 Ų13457.9 Ų57.982%0.82232%0.32SS*.SBendtrans-69.6-39.2179.143.10000112.4N19N19-T21 PolarHBondContact O-N 3.35Å
22I77Confident81.7Confident130 Ų13056.8 Ų56.867%0.66731%0.313SS*.SBendtrans-120.3131.8176.8-58.2172.8000107.6
23I79.3Confident82.1Confident23 Ų2359.6 Ų59.612%0.11832%0.321CS..  trans-104.1101.5178.2-54.6174.5000106.8L17 F62 K71 R72 I75L17-I23 HydrophobicContact CD1-CD1 4.42Å; L17-I23 HydrophobicContact CD1-CG1 4.48Å; L17-I23 HydrophobicContact CD1-CG2 4.13Å; I23-F62 HydrophobicContact CG2-CE1 4.16Å; I23-K71 HydrophobicContact CD1-CB 4.07Å; I23-R72 HydrophobicContact CD1-CB 4.27Å; I23-R72 HydrophobicContact CD1-CG 3.18Å; I23-I75 HydrophobicContact CG2-CD1 3.55Å
24N80.6Confident82.5Confident62 Ų6264.3 Ų64.333%0.33234%0.343SS..  trans-111.2179.5175.568.3-9.7000110.4D26 V27 L28N24-D26 VanDerWaalsContact C-N 3.27Å; N24-D26 PolarHBondContact ND2-OD2 2.66Å; N24-D26 PolarHBondContact O-N 2.9Å; N24-D26 PolarHBondContact OD1-N 3.16Å; N24-V27 PolarHBondContact O-N 2.9Å; N24-V27 WeakPolarHBondContact OD1-CB 3.27Å; N24-V27 WeakPolarHBondContact OD1-CG2 3.49Å; N24-V27 PolarHBondContact OD1-N 2.66Å; N24-L28 PolarHBondContact O-N 3.41Å
25E84.9Confident82.9Confident87 Ų8763.6 Ų63.641%0.40734%0.339SS..Hα-helixtrans-61.6-34.3178.6-157.1-169.7152.600112.6L28 N29 R57 F62E25-L28 PolarHBondContact O-N 2.99Å; E25-N29 WeakPolarHBondContact O-CB 3.44Å; E25-N29 PolarHBondContact O-N 3Å; E25-N29 PolarHBondContact O-ND2 2.95Å; E25-R57 IonicContact OE1-CZ 3.91Å; E25-R57 IonicContact OE1-NH2 2.66Å; E25-R57 PolarHBondContact OE1-NH2 2.8Å; E25-F62 HydrophobicContact CB-CD2 4.41Å; E25-F62 HydrophobicContact CB-CE2 4.14Å; E25-F62 HydrophobicContact CG-CE2 4.21Å
26D85.8Confident83.4Confident107 Ų10756.6 Ų56.657%0.57232%0.315SS*.Hα-helixtrans-65-41.7178.6-59.9-43000112.6N24 L28 N29 S30N24-D26 VanDerWaalsContact C-N 3.27Å; N24-D26 PolarHBondContact ND2-OD2 2.66Å; N24-D26 PolarHBondContact O-N 2.9Å; N24-D26 PolarHBondContact OD1-N 3.16Å; D26-L28 VanDerWaalsContact C-N 3.35Å; D26-N29 PolarHBondContact O-N 3.1Å; D26-S30 WeakPolarHBondContact O-CB 3.44Å; D26-S30 PolarHBondContact O-N 3.38Å; D26-S30 PolarHBondContact O-OG 3.44Å
27V85.8Confident83.9Confident39 Ų3957.2 Ų57.224%0.23632%0.317CS..Hα-helixtrans-64.4-42175.7170.30000110.2L17 A20 N24 S30 L31L17-V27 HydrophobicContact CD1-CG1 3.79Å; A20-V27 HydrophobicContact CB-CG1 4.1Å; A20-V27 HydrophobicContact CB-CG2 4.4Å; N24-V27 PolarHBondContact O-N 2.9Å; N24-V27 WeakPolarHBondContact OD1-CB 3.27Å; N24-V27 WeakPolarHBondContact OD1-CG2 3.49Å; N24-V27 PolarHBondContact OD1-N 2.66Å; V27-S30 PolarHBondContact O-N 3.08Å; V27-L31 WeakPolarHBondContact O-CB 3.49Å; V27-L31 PolarHBondContact O-N 3.16Å
28L86.5Confident84.4Confident3 Ų357.4 Ų57.42%0.01632%0.318CS..Hα-helixtrans-62.7-47.6175177.367.2000111.6N24 E25 D26 S30 L31 L32 I60 F62 I75N24-L28 PolarHBondContact O-N 3.41Å; E25-L28 PolarHBondContact O-N 2.99Å; D26-L28 VanDerWaalsContact C-N 3.35Å; L28-S30 VanDerWaalsContact C-N 3.3Å; L28-S30 PolarHBondContact O-N 3.17Å; L28-L31 PolarHBondContact O-N 3.45Å; L28-L32 HydrophobicContact CD1-CD1 4.09Å; L28-L32 HydrophobicContact CD1-CG 4.09Å; L28-L32 HydrophobicContact CD2-CD1 4.48Å; L28-L32 HydrophobicContact CG-CD1 3.95Å; L28-L32 HydrophobicContact CG-CG 4.31Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.23Å; L28-L32 PolarHBondContact O-N 2.94Å; L28-I60 HydrophobicContact CD1-CD1 3.59Å; L28-I60 HydrophobicContact CD2-CB 4.15Å; L28-I60 HydrophobicContact CD2-CD1 3.91Å; L28-I60 HydrophobicContact CD2-CG2 3.77Å; L28-I60 HydrophobicContact CG-CD1 4.4Å; L28-F62 HydrophobicContact CB-CE2 4.26Å; L28-F62 HydrophobicContact CB-CZ 4Å; L28-F62 HydrophobicContact CD2-CE2 3.72Å; L28-F62 HydrophobicContact CD2-CZ 4.05Å; L28-I75 HydrophobicContact CD1-CD1 4.42Å; L28-I75 HydrophobicContact CD1-CG1 4.47Å; L28-I75 HydrophobicContact CD1-CG2 3.92Å
29N88.9Confident85Confident36 Ų3656 Ų5619%0.19330%0.303CS..Hα-helixtrans-61.7-39.2179.4-82.7-46000111.9E25 D26 K33E25-N29 WeakPolarHBondContact O-CB 3.44Å; E25-N29 PolarHBondContact O-N 3Å; E25-N29 PolarHBondContact O-ND2 2.95Å; D26-N29 PolarHBondContact O-N 3.1Å; N29-K33 VanDerWaalsContact O-CB 3.26Å; N29-K33 WeakPolarHBondContact O-CB 3.43Å; N29-K33 PolarHBondContact O-N 3.29Å
30S88.6Confident85.4Confident68 Ų6852.7 Ų52.748%0.47629%0.285SS..Hα-helixtrans-65.6-45.9176.2-58.60000111.4D26 V27 L28 K33 E34D26-S30 WeakPolarHBondContact O-CB 3.44Å; D26-S30 PolarHBondContact O-N 3.38Å; D26-S30 PolarHBondContact O-OG 3.44Å; V27-S30 PolarHBondContact O-N 3.08Å; L28-S30 VanDerWaalsContact C-N 3.3Å; L28-S30 PolarHBondContact O-N 3.17Å; S30-K33 WeakPolarHBondContact O-CB 3.37Å; S30-K33 PolarHBondContact O-N 3.42Å; S30-E34 PolarHBondContact O-N 2.96Å
31L88.7Confident85.8Confident4 Ų456 Ų562%0.02130%0.297CS..Hα-helixtrans-60.5-48.6175.4178.1154.2000111.8L14 L17 V27 L28 K33 E34 I35 V79L14-L31 HydrophobicContact CD2-CD1 4.4Å; L17-L31 HydrophobicContact CB-CD1 3.81Å; L17-L31 HydrophobicContact CD1-CD1 3.98Å; L17-L31 HydrophobicContact CD2-CD1 3.99Å; L17-L31 HydrophobicContact CG-CD1 4.14Å; V27-L31 WeakPolarHBondContact O-CB 3.49Å; V27-L31 PolarHBondContact O-N 3.16Å; L28-L31 PolarHBondContact O-N 3.45Å; L31-K33 VanDerWaalsContact C-N 3.26Å; L31-K33 PolarHBondContact O-N 2.95Å; L31-E34 PolarHBondContact O-N 3.24Å; L31-I35 HydrophobicContact CD2-CD1 3.45Å; L31-I35 VanDerWaalsContact CD2-CD1 3.45Å; L31-I35 HydrophobicContact CD2-CG1 4.27Å; L31-I35 HydrophobicContact CG-CD1 4.21Å; L31-I35 WeakPolarHBondContact O-CG1 3.42Å; L31-I35 PolarHBondContact O-N 3.49Å; L31-V79 HydrophobicContact CD2-CG2 4.42Å
32L90.2Very high86Confident0 Ų049.8 Ų49.80%026%0.259CS..Hα-helixtrans-62.1-38.1178.3-73.2177.9000110.9L28 I35 C36 R53 V56L28-L32 HydrophobicContact CD1-CD1 4.09Å; L28-L32 HydrophobicContact CD1-CG 4.09Å; L28-L32 HydrophobicContact CD2-CD1 4.48Å; L28-L32 HydrophobicContact CG-CD1 3.95Å; L28-L32 HydrophobicContact CG-CG 4.31Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.23Å; L28-L32 PolarHBondContact O-N 2.94Å; L32-I35 PolarHBondContact O-N 2.8Å; L32-C36 WeakPolarHBondContact O-CB 3.46Å; L32-C36 PolarHBondContact O-N 3.29Å; L32-C36 PolarHBondContact O-SG 2.84Å; L32-R53 HydrophobicContact CB-CG 4.49Å; L32-R53 HydrophobicContact CD1-CG 4.28Å; L32-V56 HydrophobicContact CD1-CG1 4.41Å; L32-V56 HydrophobicContact CD2-CB 4.08Å; L32-V56 HydrophobicContact CD2-CG1 3.78Å; L32-V56 HydrophobicContact CD2-CG2 4.49Å
33K91.6Very high86.1Confident142 Ų14245.9 Ų45.962%0.61724%0.24SC*.Hα-helixtrans-62.2-46.8175-172.7178.2-179.3-178.30111.4N29 S30 L31 C36 T37N29-K33 VanDerWaalsContact O-CB 3.26Å; N29-K33 WeakPolarHBondContact O-CB 3.43Å; N29-K33 PolarHBondContact O-N 3.29Å; S30-K33 WeakPolarHBondContact O-CB 3.37Å; S30-K33 PolarHBondContact O-N 3.42Å; L31-K33 VanDerWaalsContact C-N 3.26Å; L31-K33 PolarHBondContact O-N 2.95Å; K33-C36 PolarHBondContact O-N 3.48Å; K33-T37 WeakPolarHBondContact O-CB 3.48Å; K33-T37 PolarHBondContact O-N 3.39Å; K33-T37 PolarHBondContact O-OG1 3.44Å; K33-T37 VanDerWaalsContact O-OG1 3.05Å
34E89.8Confident86.1Confident100 Ų10044.8 Ų44.847%0.46723%0.234SC..Hα-helixtrans-60.2-45.7176.6-73.7179.8-171.900112.2A13 S30 L31 T37 A38A13-E34 HydrophobicContact CB-CB 4.08Å; A13-E34 WeakPolarHBondContact CB-OE2 3.41Å; S30-E34 PolarHBondContact O-N 2.96Å; L31-E34 PolarHBondContact O-N 3.24Å; E34-T37 PolarHBondContact O-N 3.35Å; E34-A38 WeakPolarHBondContact O-CB 3.43Å; E34-A38 PolarHBondContact O-N 2.91Å
35I88.2Confident86.2Confident0 Ų042.4 Ų42.40%022%0.221CC..Hα-helixtrans-64-45.1177.1-65.7-179.7000110.7I10 A13 L14 L31 L32 T37 A38 L39 V79I10-I35 HydrophobicContact CD1-CG2 4.49Å; I10-I35 HydrophobicContact CG1-CG1 4.41Å; I10-I35 HydrophobicContact CG1-CG2 4.33Å; I10-I35 HydrophobicContact CG2-CD1 4.18Å; I10-I35 HydrophobicContact CG2-CG1 4.25Å; A13-I35 HydrophobicContact CB-CG1 4.08Å; L14-I35 HydrophobicContact CD2-CD1 4.36Å; L31-I35 HydrophobicContact CD2-CD1 3.45Å; L31-I35 VanDerWaalsContact CD2-CD1 3.45Å; L31-I35 HydrophobicContact CD2-CG1 4.27Å; L31-I35 HydrophobicContact CG-CD1 4.21Å; L31-I35 WeakPolarHBondContact O-CG1 3.42Å; L31-I35 PolarHBondContact O-N 3.49Å; L32-I35 PolarHBondContact O-N 2.8Å; I35-T37 PolarHBondContact O-N 2.92Å; I35-A38 PolarHBondContact O-N 3.33Å; I35-L39 HydrophobicContact CG2-CD1 4.01Å; I35-L39 HydrophobicContact CG2-CG 4.41Å; I35-L39 WeakPolarHBondContact O-CG 3.41Å; I35-L39 PolarHBondContact O-N 3.46Å; I35-V79 HydrophobicContact CD1-CG1 3.88Å; I35-V79 HydrophobicContact CD1-CG2 4.32Å
36C89.7Confident86.2Confident13 Ų1343.4 Ų43.49%0.08823%0.228CC..Hα-helixtrans-62-44.6178.2-71.20000111.6L32 K33 A38 L39 I40 V49L32-C36 WeakPolarHBondContact O-CB 3.46Å; L32-C36 PolarHBondContact O-N 3.29Å; L32-C36 PolarHBondContact O-SG 2.84Å; K33-C36 PolarHBondContact O-N 3.48Å; C36-A38 VanDerWaalsContact C-N 3.32Å; C36-A38 PolarHBondContact O-N 3.26Å; C36-L39 PolarHBondContact O-N 2.97Å; C36-I40 VanDerWaalsContact O-CG1 3.25Å; C36-I40 WeakPolarHBondContact O-CG1 3.5Å; C36-I40 PolarHBondContact O-N 3Å; C36-V49 HydrophobicContact CB-CG1 3.55Å; C36-V49 VanDerWaalsContact SG-CG1 3.6Å
37T90.2Very high86.2Confident63 Ų6347 Ų4739%0.38723%0.234SC..Hα-helixtrans-59.8-44.7175.3-64.90000110.7K33 E34 I35 L39 I40 E41K33-T37 WeakPolarHBondContact O-CB 3.48Å; K33-T37 PolarHBondContact O-N 3.39Å; K33-T37 PolarHBondContact O-OG1 3.44Å; K33-T37 VanDerWaalsContact O-OG1 3.05Å; E34-T37 PolarHBondContact O-N 3.35Å; I35-T37 PolarHBondContact O-N 2.92Å; T37-L39 PolarHBondContact O-N 2.73Å; T37-I40 PolarHBondContact O-N 3.28Å; T37-E41 HydrophobicContact CG2-CG 4.4Å; T37-E41 WeakPolarHBondContact O-CB 3.5Å; T37-E41 VanDerWaalsContact O-CG 3.29Å; T37-E41 WeakPolarHBondContact O-CG 3.29Å; T37-E41 PolarHBondContact O-N 3.15Å
38A86.6Confident86.2Confident4 Ų446.1 Ų46.13%0.03323%0.228CC..Hα-helixtrans-62.5-41.1177.500000112.4L6 K9 E34 I35 C36 E41 A42L6-A38 HydrophobicContact CD1-CB 3.76Å; L6-A38 WeakPolarHBondContact CD1-O 3.35Å; K9-A38 HydrophobicContact CB-CB 3.84Å; K9-A38 HydrophobicContact CD-CB 4.1Å; E34-A38 WeakPolarHBondContact O-CB 3.43Å; E34-A38 PolarHBondContact O-N 2.91Å; I35-A38 PolarHBondContact O-N 3.33Å; C36-A38 VanDerWaalsContact C-N 3.32Å; C36-A38 PolarHBondContact O-N 3.26Å; A38-E41 PolarHBondContact O-N 3.37Å; A38-A42 WeakPolarHBondContact O-CB 3.4Å; A38-A42 PolarHBondContact O-N 3.13Å
39L85.7Confident86.3Confident1 Ų146.1 Ų46.11%0.00523%0.228CC..Hα-helixtrans-65.9-41.4176.3-69.7170.4000112.2L6 I35 C36 T37 A42 D43 V44 V49 L52 L83L6-L39 HydrophobicContact CD1-CD2 4.16Å; L6-L39 HydrophobicContact CD2-CD2 4.3Å; I35-L39 HydrophobicContact CG2-CD1 4.01Å; I35-L39 HydrophobicContact CG2-CG 4.41Å; I35-L39 WeakPolarHBondContact O-CG 3.41Å; I35-L39 PolarHBondContact O-N 3.46Å; C36-L39 PolarHBondContact O-N 2.97Å; T37-L39 PolarHBondContact O-N 2.73Å; L39-A42 CarbonylContact O-C 3.57Å; L39-A42 WeakPolarHBondContact O-CA 3.49Å; L39-A42 WeakPolarHBondContact O-CB 3.3Å; L39-A42 PolarHBondContact O-N 3.39Å; L39-A42 VanDerWaalsContact O-N 3.17Å; L39-D43 PolarHBondContact O-N 3.33Å; L39-V44 HydrophobicContact CB-CB 4.19Å; L39-V44 HydrophobicContact CB-CG2 4.15Å; L39-V44 HydrophobicContact CD2-CG2 4.05Å; L39-V44 VanDerWaalsContact O-CB 3.27Å; L39-V44 WeakPolarHBondContact O-CB 3.43Å; L39-V44 VanDerWaalsContact O-CG2 3.26Å; L39-V44 WeakPolarHBondContact O-CG2 3.43Å; L39-V44 PolarHBondContact O-N 3.42Å; L39-V49 HydrophobicContact CB-CG1 4.5Å; L39-V49 HydrophobicContact CB-CG2 3.74Å; L39-V49 HydrophobicContact CD1-CG2 4.36Å; L39-L52 HydrophobicContact CD1-CD1 4.12Å; L39-L83 HydrophobicContact CD1-CD2 4.44Å; L39-L83 HydrophobicContact CD2-CD2 4.36Å
40I85.5Confident86.3Confident70 Ų7050.6 Ų50.636%0.35925%0.246SC..Hα-helixtrans-65-44.7176.8-68.3165.8000110.5C36 T37 A42 D43 I46 V49C36-I40 VanDerWaalsContact O-CG1 3.25Å; C36-I40 WeakPolarHBondContact O-CG1 3.5Å; C36-I40 PolarHBondContact O-N 3Å; T37-I40 PolarHBondContact O-N 3.28Å; I40-A42 PolarHBondContact O-N 3.5Å; I40-D43 PolarHBondContact O-N 2.86Å; I40-I46 HydrophobicContact CG1-CG1 4.5Å; I40-V49 HydrophobicContact CD1-CG1 4.29Å; I40-V49 HydrophobicContact CG1-CB 4.4Å; I40-V49 HydrophobicContact CG1-CG1 4.16Å; I40-V49 HydrophobicContact CG1-CG2 4.17Å
41E83.8Confident86.3Confident89 Ų8951.8 Ų51.842%0.41624%0.244SC..Hα-helixtrans-60.7-29.8174.3-74.4175168.500112.2K9 T37 A38 D43 K255K9-E41 IonicContact NZ-OE1 2.78Å; K9-E41 IonicContact NZ-OE2 2.82Å; K9-E41 PolarHBondContact NZ-OE2 3.05Å; T37-E41 HydrophobicContact CG2-CG 4.4Å; T37-E41 WeakPolarHBondContact O-CB 3.5Å; T37-E41 VanDerWaalsContact O-CG 3.29Å; T37-E41 WeakPolarHBondContact O-CG 3.29Å; T37-E41 PolarHBondContact O-N 3.15Å; A38-E41 PolarHBondContact O-N 3.37Å; E41-D43 PolarHBondContact O-N 3.08Å; E41-K255 VanDerWaalsContact O-CD 3.27Å; E41-K255 WeakPolarHBondContact O-CD 3.47Å; E41-K255 WeakPolarHBondContact O-CE 3.24Å; E41-K255 PolarHBondContact O-NZ 3.3Å
42A79.1Confident86.3Confident4 Ų451.6 Ų51.63%0.03324%0.243CC..THydrogen-bonded Turntrans-80.912.1174.100000114L6 A38 L39 I40 V44 K255 G257L6-A42 HydrophobicContact CB-CB 4.47Å; L6-A42 HydrophobicContact CD1-CB 4.12Å; L6-A42 HydrophobicContact CD2-CB 3.9Å; L6-A42 HydrophobicContact CG-CB 4.39Å; A38-A42 WeakPolarHBondContact O-CB 3.4Å; A38-A42 PolarHBondContact O-N 3.13Å; L39-A42 CarbonylContact O-C 3.57Å; L39-A42 WeakPolarHBondContact O-CA 3.49Å; L39-A42 WeakPolarHBondContact O-CB 3.3Å; L39-A42 PolarHBondContact O-N 3.39Å; L39-A42 VanDerWaalsContact O-N 3.17Å; I40-A42 PolarHBondContact O-N 3.5Å; A42-V44 VanDerWaalsContact C-N 3.28Å; A42-V44 HydrophobicContact CB-CG2 4.5Å; A42-V44 PolarHBondContact O-N 3.22Å; A42-K255 HydrophobicContact CB-CB 4.29Å; A42-K255 VanDerWaalsContact O-CB 3.25Å; A42-K255 WeakPolarHBondContact O-CB 3.34Å; A42-G257 VanDerWaalsContact O-CA 3.25Å; A42-G257 WeakPolarHBondContact O-CA 3.08Å; A42-G257 PolarHBondContact O-N 3.39Å
43D78.6Confident86.4Confident48 Ų4856.6 Ų56.626%0.25726%0.262SS..THydrogen-bonded Turntrans58.434.7-179.3-62.1-41.6000113.9L39 I40 E41 Q227 K255 G257L39-D43 PolarHBondContact O-N 3.33Å; I40-D43 PolarHBondContact O-N 2.86Å; E41-D43 PolarHBondContact O-N 3.08Å; D43-Q227 HydrophobicContact CB-CG 4.49Å; D43-Q227 PolarHBondContact O-NE2 2.84Å; D43-K255 HydrophobicContact CB-CD 4.32Å; D43-K255 IonicContact OD1-NZ 2.83Å; D43-K255 PolarHBondContact OD1-NZ 2.98Å; D43-K255 WeakPolarHBondContact OD2-CD 3.47Å; D43-K255 WeakPolarHBondContact OD2-CE 3.49Å; D43-K255 IonicContact OD2-NZ 3.12Å; D43-K255 PolarHBondContact OD2-NZ 3.3Å; D43-G257 CarbonylContact O-C 3.58Å
44V80.2Confident86.4Confident0 Ų055 Ų550%026%0.256CS..  trans-78.5140.4166.2-175.30000109.4L39 A42 I46 L48 V49 Q227 L260L39-V44 HydrophobicContact CB-CB 4.19Å; L39-V44 HydrophobicContact CB-CG2 4.15Å; L39-V44 HydrophobicContact CD2-CG2 4.05Å; L39-V44 VanDerWaalsContact O-CB 3.27Å; L39-V44 WeakPolarHBondContact O-CB 3.43Å; L39-V44 VanDerWaalsContact O-CG2 3.26Å; L39-V44 WeakPolarHBondContact O-CG2 3.43Å; L39-V44 PolarHBondContact O-N 3.42Å; A42-V44 VanDerWaalsContact C-N 3.28Å; A42-V44 HydrophobicContact CB-CG2 4.5Å; A42-V44 PolarHBondContact O-N 3.22Å; V44-I46 PolarHBondContact O-N 3.33Å; V44-L48 HydrophobicContact CG1-CB 4.47Å; V44-V49 HydrophobicContact CB-CG2 3.99Å; V44-V49 HydrophobicContact CG1-CG2 3.8Å; V44-Q227 VanDerWaalsContact C-NE2 3.25Å; V44-Q227 PolarHBondContact O-NE2 2.85Å; V44-L260 HydrophobicContact CG1-CD1 4.26Å; V44-L260 HydrophobicContact CG2-CD1 3.84Å
45N81.4Confident86.3Confident13 Ų1352.4 Ų52.47%0.0725%0.246CC..  trans-56.1128179.9-167-48.3000112.5R47 L48 V49 Q227 E230 S261N45-R47 PolarHBondContact O-N 2.83Å; N45-R47 VanDerWaalsContact O-N 3.16Å; N45-R47 WeakPolarHBondContact OD1-CB 3.34Å; N45-R47 PolarHBondContact OD1-N 2.81Å; N45-L48 HydrophobicContact CB-CB 4.36Å; N45-L48 HydrophobicContact CB-CD1 3.91Å; N45-L48 HydrophobicContact CB-CG 4Å; N45-L48 WeakPolarHBondContact O-CB 3.42Å; N45-L48 PolarHBondContact O-N 2.72Å; N45-V49 WeakPolarHBondContact O-CG2 3.47Å; N45-V49 PolarHBondContact O-N 2.81Å; N45-Q227 VanDerWaalsContact CA-OE1 3.3Å; N45-E230 PolarHBondContact ND2-OE2 2.72Å; N45-S261 PolarHBondContact N-OG 3.18Å
46I85.6Confident86.3Confident107 Ų10752.4 Ų52.455%0.54925%0.246SC..Hα-helixtrans-57.3-33.5-178.2-60.8172.5000111.5I40 V44 V49 K50I40-I46 HydrophobicContact CG1-CG1 4.5Å; V44-I46 PolarHBondContact O-N 3.33Å; I46-V49 PolarHBondContact O-N 2.87Å; I46-K50 WeakPolarHBondContact O-CB 3.37Å; I46-K50 PolarHBondContact O-N 3.16Å
47R85.6Confident86.2Confident182 Ų18257.6 Ų57.669%0.68726%0.264SS*.Hα-helixtrans-63.6-44.7176.4-62.8178.9179.9173.8-1.1111.5N45 K50 Q51N45-R47 PolarHBondContact O-N 2.83Å; N45-R47 VanDerWaalsContact O-N 3.16Å; N45-R47 WeakPolarHBondContact OD1-CB 3.34Å; N45-R47 PolarHBondContact OD1-N 2.81Å; R47-K50 PolarHBondContact O-N 3.23Å; R47-Q51 WeakPolarHBondContact O-CB 3.36Å; R47-Q51 PolarHBondContact O-N 3.23Å
48L85.4Confident86.1Confident22 Ų2258.6 Ų58.612%0.11528%0.278CS..Hα-helixtrans-66.7-39.9177-61.9175.9000111.5V44 N45 K50 Q51 L52 L86 A264V44-L48 HydrophobicContact CG1-CB 4.47Å; N45-L48 HydrophobicContact CB-CB 4.36Å; N45-L48 HydrophobicContact CB-CD1 3.91Å; N45-L48 HydrophobicContact CB-CG 4Å; N45-L48 WeakPolarHBondContact O-CB 3.42Å; N45-L48 PolarHBondContact O-N 2.72Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 3.37Å; L48-Q51 PolarHBondContact O-N 3.34Å; L48-L52 WeakPolarHBondContact O-CB 3.21Å; L48-L52 PolarHBondContact O-N 2.92Å; L48-L86 HydrophobicContact CB-CD2 4.21Å; L48-L86 HydrophobicContact CD2-CD2 4.37Å; L48-A264 HydrophobicContact CD1-CB 3.65Å; L48-A264 HydrophobicContact CD2-CB 3.8Å; L48-A264 HydrophobicContact CG-CB 4.33Å
49V88.4Confident85.9Confident3 Ų362.5 Ų62.52%0.01830%0.301CS..Hα-helixtrans-64-40.8176178.30000111.1C36 L39 I40 V44 N45 I46 L52 R53C36-V49 HydrophobicContact CB-CG1 3.55Å; C36-V49 VanDerWaalsContact SG-CG1 3.6Å; L39-V49 HydrophobicContact CB-CG1 4.5Å; L39-V49 HydrophobicContact CB-CG2 3.74Å; L39-V49 HydrophobicContact CD1-CG2 4.36Å; I40-V49 HydrophobicContact CD1-CG1 4.29Å; I40-V49 HydrophobicContact CG1-CB 4.4Å; I40-V49 HydrophobicContact CG1-CG1 4.16Å; I40-V49 HydrophobicContact CG1-CG2 4.17Å; V44-V49 HydrophobicContact CB-CG2 3.99Å; V44-V49 HydrophobicContact CG1-CG2 3.8Å; N45-V49 WeakPolarHBondContact O-CG2 3.47Å; N45-V49 PolarHBondContact O-N 2.81Å; I46-V49 PolarHBondContact O-N 2.87Å; V49-L52 PolarHBondContact O-N 3.18Å; V49-R53 PolarHBondContact O-N 2.97Å
50K90.3Very high85.6Confident130 Ų13062.9 Ų62.957%0.56530%0.303SS*.Hα-helixtrans-63.3-46.5175-177.1179.9170.4-175.60111.3I46 R47 L48 L52 R53 E54I46-K50 WeakPolarHBondContact O-CB 3.37Å; I46-K50 PolarHBondContact O-N 3.16Å; R47-K50 PolarHBondContact O-N 3.23Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 3.37Å; K50-L52 PolarHBondContact O-N 3.34Å; K50-R53 WeakPolarHBondContact O-CB 3.46Å; K50-R53 PolarHBondContact O-N 3.13Å; K50-R53 VanDerWaalsContact O-N 3.16Å; K50-E54 WeakPolarHBondContact CE-OE1 3.36Å; K50-E54 IonicContact NZ-OE1 3.96Å; K50-E54 WeakPolarHBondContact O-CG 3.25Å; K50-E54 PolarHBondContact O-N 3.37Å
51Q88.5Confident85.2Confident93 Ų9362.8 Ų62.844%0.43530%0.303SS..Hα-helixtrans-61.1-43.3177.7-172.4175.33.500111.7R47 L48 R53 E54 N55R47-Q51 WeakPolarHBondContact O-CB 3.36Å; R47-Q51 PolarHBondContact O-N 3.23Å; L48-Q51 PolarHBondContact O-N 3.34Å; Q51-R53 VanDerWaalsContact C-N 3.31Å; Q51-R53 PolarHBondContact O-N 3.29Å; Q51-E54 PolarHBondContact O-N 2.86Å; Q51-N55 WeakPolarHBondContact O-CB 3.26Å; Q51-N55 PolarHBondContact O-N 2.82Å; Q51-N55 PolarHBondContact O-OD1 3.15Å
52L88.8Confident84.6Confident0 Ų060.5 Ų60.50%029%0.292CS..Hα-helixtrans-57.1-45.6173.6176.5151000111.3L39 L48 V49 K50 E54 N55 V56 E82 L83 L86L39-L52 HydrophobicContact CD1-CD1 4.12Å; L48-L52 WeakPolarHBondContact O-CB 3.21Å; L48-L52 PolarHBondContact O-N 2.92Å; V49-L52 PolarHBondContact O-N 3.18Å; K50-L52 PolarHBondContact O-N 3.34Å; L52-E54 VanDerWaalsContact C-N 3.33Å; L52-E54 PolarHBondContact O-N 3.39Å; L52-N55 PolarHBondContact O-N 3.37Å; L52-V56 HydrophobicContact CD2-CG2 4.2Å; L52-V56 HydrophobicContact CG-CG2 4.36Å; L52-V56 WeakPolarHBondContact O-CB 3.47Å; L52-V56 VanDerWaalsContact O-CG2 3.27Å; L52-V56 WeakPolarHBondContact O-CG2 3.44Å; L52-V56 PolarHBondContact O-N 3.42Å; L52-E82 HydrophobicContact CD1-CB 4.42Å; L52-E82 HydrophobicContact CG-CB 4.22Å; L52-L83 HydrophobicContact CD1-CD2 3.74Å; L52-L83 HydrophobicContact CD1-CG 4.24Å; L52-L86 HydrophobicContact CB-CD1 4.09Å; L52-L86 HydrophobicContact CD1-CD1 3.43Å; L52-L86 VanDerWaalsContact CD1-CD1 3.43Å; L52-L86 HydrophobicContact CD1-CG 4.27Å; L52-L86 HydrophobicContact CG-CD1 4.37Å
53R90.7Very high84.2Confident105 Ų10567.7 Ų67.740%0.39633%0.33SS..Hα-helixtrans-61.5-43179.3-176-179.2176.1-171.4-2.1111.9L32 V49 K50 Q51 R57L32-R53 HydrophobicContact CB-CG 4.49Å; L32-R53 HydrophobicContact CD1-CG 4.28Å; V49-R53 PolarHBondContact O-N 2.97Å; K50-R53 WeakPolarHBondContact O-CB 3.46Å; K50-R53 PolarHBondContact O-N 3.13Å; K50-R53 VanDerWaalsContact O-N 3.16Å; Q51-R53 VanDerWaalsContact C-N 3.31Å; Q51-R53 PolarHBondContact O-N 3.29Å; R53-R57 WeakPolarHBondContact O-CB 3.21Å; R53-R57 PolarHBondContact O-N 3.31Å; R53-R57 VanDerWaalsContact O-N 3.13Å
54E91.6Very high83.6Confident107 Ų10773.3 Ų73.350%0.536%0.355SS..Hα-helixtrans-66.9-45.8179.3-72.2172.4176.500111.3K50 Q51 L52 R57 A58K50-E54 WeakPolarHBondContact CE-OE1 3.36Å; K50-E54 IonicContact NZ-OE1 3.96Å; K50-E54 WeakPolarHBondContact O-CG 3.25Å; K50-E54 PolarHBondContact O-N 3.37Å; Q51-E54 PolarHBondContact O-N 2.86Å; L52-E54 VanDerWaalsContact C-N 3.33Å; L52-E54 PolarHBondContact O-N 3.39Å; E54-R57 PolarHBondContact O-N 2.98Å; E54-A58 WeakPolarHBondContact O-CB 3.21Å; E54-A58 PolarHBondContact O-N 3.45Å
55N89.5Confident83Confident46 Ų4674.4 Ų74.425%0.24636%0.36CS..Hα-helixtrans-62.1-47.3177.7-68.7-3.3000112.2Q51 L52 R57 A58 V59 E82Q51-N55 WeakPolarHBondContact O-CB 3.26Å; Q51-N55 PolarHBondContact O-N 2.82Å; Q51-N55 PolarHBondContact O-OD1 3.15Å; L52-N55 PolarHBondContact O-N 3.37Å; N55-R57 VanDerWaalsContact C-N 3.27Å; N55-R57 PolarHBondContact O-N 2.96Å; N55-A58 PolarHBondContact O-N 2.9Å; N55-V59 WeakPolarHBondContact O-CG2 3.33Å; N55-V59 PolarHBondContact O-N 3.41Å; N55-V59 VanDerWaalsContact O-N 3.16Å; N55-E82 VanDerWaalsContact CB-CD 3.41Å; N55-E82 HydrophobicContact CB-CG 4.07Å; N55-E82 WeakPolarHBondContact CB-OE2 3.43Å; N55-E82 PolarHBondContact ND2-OE2 2.95Å
56V88.3Confident82Confident0 Ų076.6 Ų76.60%038%0.38CS..Hα-helixtrans-61.4-39.1178.1176.70000110.7L32 L52 V59 I60 A78 V79 E82L32-V56 HydrophobicContact CD1-CG1 4.41Å; L32-V56 HydrophobicContact CD2-CB 4.08Å; L32-V56 HydrophobicContact CD2-CG1 3.78Å; L32-V56 HydrophobicContact CD2-CG2 4.49Å; L52-V56 HydrophobicContact CD2-CG2 4.2Å; L52-V56 HydrophobicContact CG-CG2 4.36Å; L52-V56 WeakPolarHBondContact O-CB 3.47Å; L52-V56 VanDerWaalsContact O-CG2 3.27Å; L52-V56 WeakPolarHBondContact O-CG2 3.44Å; L52-V56 PolarHBondContact O-N 3.42Å; V56-V59 PolarHBondContact O-N 3.4Å; V56-I60 HydrophobicContact CG1-CD1 3.6Å; V56-I60 WeakPolarHBondContact O-CD1 3.47Å; V56-I60 VanDerWaalsContact O-CG1 3.32Å; V56-I60 WeakPolarHBondContact O-CG1 3.37Å; V56-I60 PolarHBondContact O-N 2.92Å; V56-A78 HydrophobicContact CG1-CB 4.4Å; V56-V79 HydrophobicContact CG1-CG2 4.18Å; V56-E82 HydrophobicContact CG2-CB 3.81Å; V56-E82 HydrophobicContact CG2-CG 3.56Å
57R87.5Confident80.8Confident123 Ų12376.9 Ų76.946%0.46440%0.398SS..Hα-helixtrans-67.5-38177-171.3176.2-179.1163.84.1112.1E25 R53 E54 N55 V59 I60E25-R57 IonicContact OE1-CZ 3.91Å; E25-R57 IonicContact OE1-NH2 2.66Å; E25-R57 PolarHBondContact OE1-NH2 2.8Å; R53-R57 WeakPolarHBondContact O-CB 3.21Å; R53-R57 PolarHBondContact O-N 3.31Å; R53-R57 VanDerWaalsContact O-N 3.13Å; E54-R57 PolarHBondContact O-N 2.98Å; N55-R57 VanDerWaalsContact C-N 3.27Å; N55-R57 PolarHBondContact O-N 2.96Å; R57-V59 VanDerWaalsContact C-N 3.27Å; R57-V59 PolarHBondContact O-N 2.97Å; R57-I60 PolarHBondContact O-N 3.29Å
58A86.9Confident79.6Confident84 Ų8471.9 Ų71.969%0.69440%0.404SS*.Hα-helixtrans-65.6-29.4178.300000113.1E54 N55E54-A58 WeakPolarHBondContact O-CB 3.21Å; E54-A58 PolarHBondContact O-N 3.45Å; N55-A58 PolarHBondContact O-N 2.9Å
59V82.7Confident78.6Confident86 Ų8675.5 Ų75.552%0.52142%0.423SS..Hα-helixtrans-79.6-22.7176.5175.90000112.3N55 V56 R57 A78N55-V59 WeakPolarHBondContact O-CG2 3.33Å; N55-V59 PolarHBondContact O-N 3.41Å; N55-V59 VanDerWaalsContact O-N 3.16Å; V56-V59 PolarHBondContact O-N 3.4Å; R57-V59 VanDerWaalsContact C-N 3.27Å; R57-V59 PolarHBondContact O-N 2.97Å; V59-A78 HydrophobicContact CG1-CB 4.17Å
60I80.4Confident78Confident9 Ų980.2 Ų80.25%0.04645%0.448CS..  trans-103.388.2-174.9-59.8165.3000109.1L28 V56 R57 F62 M65 I75 A78L28-I60 HydrophobicContact CD1-CD1 3.59Å; L28-I60 HydrophobicContact CD2-CB 4.15Å; L28-I60 HydrophobicContact CD2-CD1 3.91Å; L28-I60 HydrophobicContact CD2-CG2 3.77Å; L28-I60 HydrophobicContact CG-CD1 4.4Å; V56-I60 HydrophobicContact CG1-CD1 3.6Å; V56-I60 WeakPolarHBondContact O-CD1 3.47Å; V56-I60 VanDerWaalsContact O-CG1 3.32Å; V56-I60 WeakPolarHBondContact O-CG1 3.37Å; V56-I60 PolarHBondContact O-N 2.92Å; R57-I60 PolarHBondContact O-N 3.29Å; I60-F62 HydrophobicContact CG2-CD2 4.2Å; I60-F62 HydrophobicContact CG2-CE1 4.47Å; I60-F62 HydrophobicContact CG2-CE2 3.83Å; I60-F62 HydrophobicContact CG2-CZ 3.98Å; I60-M65 VanDerWaalsContact CA-CE 3.49Å; I60-M65 HydrophobicContact CB-CE 3.85Å; I60-M65 HydrophobicContact CG1-CE 4.13Å; I60-M65 HydrophobicContact CG2-CE 3.43Å; I60-M65 VanDerWaalsContact CG2-CE 3.43Å; I60-I75 HydrophobicContact CD1-CB 4.4Å; I60-I75 HydrophobicContact CD1-CG1 3.92Å; I60-I75 HydrophobicContact CD1-CG2 4.3Å; I60-A78 HydrophobicContact CD1-CB 4.49Å
61D75.3Confident77.4Confident67 Ų6777 Ų7736%0.35843%0.433SS..  trans-92.7114.4164.6-165.5-26.2000109.7D63 E64 M65D61-D63 PolarHBondContact O-N 3.38Å; D61-D63 WeakPolarHBondContact OD1-CB 3.27Å; D61-D63 PolarHBondContact OD1-N 3.26Å; D61-E64 HydrophobicContact CB-CB 4.16Å; D61-E64 HydrophobicContact CB-CG 4.26Å; D61-M65 VanDerWaalsContact O-CG 3.25Å; D61-M65 WeakPolarHBondContact O-CG 3.34Å; D61-M65 PolarHBondContact O-N 3.02Å
62F73Confident77Confident42 Ų4276.5 Ų76.518%0.18443%0.428CS..THydrogen-bonded Turntrans-70.4-21179.4-77.3-79.4000113I23 E25 L28 I60I23-F62 HydrophobicContact CG2-CE1 4.16Å; E25-F62 HydrophobicContact CB-CD2 4.41Å; E25-F62 HydrophobicContact CB-CE2 4.14Å; E25-F62 HydrophobicContact CG-CE2 4.21Å; L28-F62 HydrophobicContact CB-CE2 4.26Å; L28-F62 HydrophobicContact CB-CZ 4Å; L28-F62 HydrophobicContact CD2-CE2 3.72Å; L28-F62 HydrophobicContact CD2-CZ 4.05Å; I60-F62 HydrophobicContact CG2-CD2 4.2Å; I60-F62 HydrophobicContact CG2-CE1 4.47Å; I60-F62 HydrophobicContact CG2-CE2 3.83Å; I60-F62 HydrophobicContact CG2-CZ 3.98Å
63D69.3Low76.5Confident155 Ų15583.7 Ų83.783%0.82946%0.459SS*.THydrogen-bonded Turntrans-83.1-36.1-178.9-64.7-26.6000111.2D61D61-D63 PolarHBondContact O-N 3.38Å; D61-D63 WeakPolarHBondContact OD1-CB 3.27Å; D61-D63 PolarHBondContact OD1-N 3.26Å
64E65.8Low76.1Confident166 Ų16681 Ų8178%0.77645%0.452SS*.THydrogen-bonded Turntrans-81.6-18.9176.7-65.6-167.3160.600113.8D61 A66D61-E64 HydrophobicContact CB-CB 4.16Å; D61-E64 HydrophobicContact CB-CG 4.26Å; E64-A66 PolarHBondContact O-N 2.83Å
65M68.5Low75.8Confident23 Ų2375.9 Ų75.911%0.11343%0.428CS..SBendtrans-69.1102.8-178.2-83.8-172.7-147.300112.3I60 D61 A67 K71 I74I60-M65 VanDerWaalsContact CA-CE 3.49Å; I60-M65 HydrophobicContact CB-CE 3.85Å; I60-M65 HydrophobicContact CG1-CE 4.13Å; I60-M65 HydrophobicContact CG2-CE 3.43Å; I60-M65 VanDerWaalsContact CG2-CE 3.43Å; D61-M65 VanDerWaalsContact O-CG 3.25Å; D61-M65 WeakPolarHBondContact O-CG 3.34Å; D61-M65 PolarHBondContact O-N 3.02Å; M65-A67 PolarHBondContact O-N 3.3Å; M65-K71 HydrophobicContact SD-CG 4.32Å; M65-I74 HydrophobicContact CE-CG2 3.98Å; M65-I74 HydrophobicContact CG-CD1 4.49Å; M65-I74 HydrophobicContact SD-CD1 4.19Å; M65-I74 HydrophobicContact SD-CG2 4.29Å
66A60.4Low75.4Confident58 Ų5877.3 Ų77.348%0.47943%0.433SS..  trans-47.7135176.600000112.6E64 G68 L69E64-A66 PolarHBondContact O-N 2.83Å; A66-G68 PolarHBondContact O-N 2.82Å; A66-L69 HydrophobicContact CB-CD1 4.21Å; A66-L69 HydrophobicContact CB-CG 4.45Å; A66-L69 PolarHBondContact O-N 3.46Å
67A60Low75.2Confident113 Ų11379.7 Ų79.793%0.93445%0.45SS*.THydrogen-bonded Turntrans-61.60.7-173.100000116.3M65M65-A67 PolarHBondContact O-N 3.3Å
68G60.5Low75.2Confident78 Ų7874.2 Ų74.280%0.80443%0.431SS*.THydrogen-bonded Turntrans-112.1-7.8176.200000114.9A66A66-G68 PolarHBondContact O-N 2.82Å
69L65Low75.2Confident98 Ų9870.2 Ų70.251%0.51340%0.398SS..SBendtrans-79.5137179.1-68.5169.8000110A66 K71 I74A66-L69 HydrophobicContact CB-CD1 4.21Å; A66-L69 HydrophobicContact CB-CG 4.45Å; A66-L69 PolarHBondContact O-N 3.46Å; L69-K71 PolarHBondContact O-N 3.47Å; L69-I74 HydrophobicContact CB-CD1 3.68Å; L69-I74 HydrophobicContact CD1-CD1 3.87Å; L69-I74 HydrophobicContact CG-CD1 4.29Å
70N75.3Confident75.4Confident101 Ų10168 Ų6854%0.5438%0.381SS..  trans-69.588.6173.9-169.1-14.5000108.6R72 K73 I74N70-R72 PolarHBondContact O-N 3.39Å; N70-R72 WeakPolarHBondContact OD1-CB 3.48Å; N70-R72 PolarHBondContact OD1-N 2.87Å; N70-K73 HydrophobicContact CB-CB 4.26Å; N70-K73 WeakPolarHBondContact O-CB 3.21Å; N70-K73 PolarHBondContact O-N 3.32Å; N70-I74 PolarHBondContact O-N 3.47Å
71K78.1Confident75.7Confident62 Ų6274 Ų7427%0.2741%0.407SS..Hα-helixtrans-46.4-35.3-179.1-66.5-173.3-179.6-166.40111.4I23 M65 L69 K73 I74 I75I23-K71 HydrophobicContact CD1-CB 4.07Å; M65-K71 HydrophobicContact SD-CG 4.32Å; L69-K71 PolarHBondContact O-N 3.47Å; K71-K73 PolarHBondContact O-N 2.85Å; K71-I74 PolarHBondContact O-N 3.06Å; K71-I75 VanDerWaalsContact O-CG1 3.27Å; K71-I75 WeakPolarHBondContact O-CG1 3.3Å; K71-I75 PolarHBondContact O-N 3.21Å
72R78.6Confident76.3Confident83 Ų8372.1 Ų72.131%0.31340%0.396SS..Hα-helixtrans-57.4-49.2175-57.6178.9176.6160.11.3112.8L17 G18 A20 I23 N70 I74 I75 Q76L17-R72 HydrophobicContact CD2-CB 4.31Å; L17-R72 HydrophobicContact CG-CG 4.4Å; L17-R72 PolarHBondContact O-NE 3.48Å; G18-R72 PolarHBondContact O-NH1 2.99Å; G18-R72 PolarHBondContact O-NH2 3.41Å; A20-R72 PolarHBondContact O-NH2 3.49Å; I23-R72 HydrophobicContact CD1-CB 4.27Å; I23-R72 HydrophobicContact CD1-CG 3.18Å; N70-R72 PolarHBondContact O-N 3.39Å; N70-R72 WeakPolarHBondContact OD1-CB 3.48Å; N70-R72 PolarHBondContact OD1-N 2.87Å; R72-I74 VanDerWaalsContact C-N 3.32Å; R72-I74 PolarHBondContact O-N 3Å; R72-I75 PolarHBondContact O-N 3.39Å; R72-Q76 WeakPolarHBondContact O-CB 3.28Å; R72-Q76 VanDerWaalsContact O-CG 3.28Å; R72-Q76 WeakPolarHBondContact O-CG 3.41Å; R72-Q76 PolarHBondContact O-N 2.77Å
73K79.9Confident76.9Confident151 Ų15170.5 Ų70.566%0.65739%0.389SS*.Hα-helixtrans-67.7-35.4-177.8-170176.3-179.1-179.40111.2N70 K71 S77N70-K73 HydrophobicContact CB-CB 4.26Å; N70-K73 WeakPolarHBondContact O-CB 3.21Å; N70-K73 PolarHBondContact O-N 3.32Å; K71-K73 PolarHBondContact O-N 2.85Å; K73-S77 WeakPolarHBondContact O-CB 3.45Å; K73-S77 PolarHBondContact O-N 3.06Å
74I82.4Confident77.7Confident49 Ų4964.2 Ų64.225%0.25136%0.356SS..Hα-helixtrans-64.1-50.8175.1-62.8177.7000110.1M65 L69 N70 K71 R72 Q76 S77 A78M65-I74 HydrophobicContact CE-CG2 3.98Å; M65-I74 HydrophobicContact CG-CD1 4.49Å; M65-I74 HydrophobicContact SD-CD1 4.19Å; M65-I74 HydrophobicContact SD-CG2 4.29Å; L69-I74 HydrophobicContact CB-CD1 3.68Å; L69-I74 HydrophobicContact CD1-CD1 3.87Å; L69-I74 HydrophobicContact CG-CD1 4.29Å; N70-I74 PolarHBondContact O-N 3.47Å; K71-I74 PolarHBondContact O-N 3.06Å; R72-I74 VanDerWaalsContact C-N 3.32Å; R72-I74 PolarHBondContact O-N 3Å; I74-Q76 PolarHBondContact O-N 3.4Å; I74-S77 CarbonylContact O-C 3.6Å; I74-S77 PolarHBondContact O-N 2.94Å; I74-S77 VanDerWaalsContact O-N 3.16Å; I74-A78 WeakPolarHBondContact O-CB 3.37Å; I74-A78 PolarHBondContact O-N 3.24Å
75I83.7Confident78.6Confident0 Ų060.6 Ų60.60%034%0.339CS..Hα-helixtrans-59.9-47.4179-64.3168.5000110.6L17 I23 L28 I60 K71 R72 S77 A78 V79L17-I75 HydrophobicContact CD1-CD1 4.2Å; L17-I75 HydrophobicContact CD2-CB 3.98Å; L17-I75 HydrophobicContact CD2-CD1 4.29Å; L17-I75 HydrophobicContact CD2-CG2 3.88Å; I23-I75 HydrophobicContact CG2-CD1 3.55Å; L28-I75 HydrophobicContact CD1-CD1 4.42Å; L28-I75 HydrophobicContact CD1-CG1 4.47Å; L28-I75 HydrophobicContact CD1-CG2 3.92Å; I60-I75 HydrophobicContact CD1-CB 4.4Å; I60-I75 HydrophobicContact CD1-CG1 3.92Å; I60-I75 HydrophobicContact CD1-CG2 4.3Å; K71-I75 VanDerWaalsContact O-CG1 3.27Å; K71-I75 WeakPolarHBondContact O-CG1 3.3Å; K71-I75 PolarHBondContact O-N 3.21Å; R72-I75 PolarHBondContact O-N 3.39Å; I75-S77 VanDerWaalsContact C-N 3.31Å; I75-S77 PolarHBondContact O-N 3.25Å; I75-A78 PolarHBondContact O-N 3.12Å; I75-V79 WeakPolarHBondContact O-CG2 3.23Å; I75-V79 PolarHBondContact O-N 3.42Å
76Q82.5Confident79.2Confident76 Ų7660.2 Ų60.236%0.35534%0.338SS..Hα-helixtrans-59-42.7176.1-74.7175.8-7.400111.9L14 L17 R72 I74 F80L14-Q76 HydrophobicContact CD2-CG 4.07Å; L17-Q76 HydrophobicContact CD2-CG 4.4Å; R72-Q76 WeakPolarHBondContact O-CB 3.28Å; R72-Q76 VanDerWaalsContact O-CG 3.28Å; R72-Q76 WeakPolarHBondContact O-CG 3.41Å; R72-Q76 PolarHBondContact O-N 2.77Å; I74-Q76 PolarHBondContact O-N 3.4Å; Q76-F80 WeakPolarHBondContact O-CB 3.07Å; Q76-F80 PolarHBondContact O-N 3.3Å
77S84.4Confident80.2Confident49 Ų4957.7 Ų57.734%0.34332%0.316SS..Hα-helixtrans-68.1-37.6177.9-174.50000112.3K73 I74 I75 F80 K81K73-S77 WeakPolarHBondContact O-CB 3.45Å; K73-S77 PolarHBondContact O-N 3.06Å; I74-S77 CarbonylContact O-C 3.6Å; I74-S77 PolarHBondContact O-N 2.94Å; I74-S77 VanDerWaalsContact O-N 3.16Å; I75-S77 VanDerWaalsContact C-N 3.31Å; I75-S77 PolarHBondContact O-N 3.25Å; S77-F80 PolarHBondContact O-N 3.28Å; S77-K81 WeakPolarHBondContact O-CB 3.41Å; S77-K81 VanDerWaalsContact O-CG 3.23Å; S77-K81 WeakPolarHBondContact O-CG 3.35Å; S77-K81 PolarHBondContact O-N 3.12Å
78A86.8Confident81.2Confident8 Ų855.1 Ų55.17%0.06629%0.287CS..Hα-helixtrans-64.6-48.3176.300000110.8V56 V59 I60 I74 I75 F80 K81 E82V56-A78 HydrophobicContact CG1-CB 4.4Å; V59-A78 HydrophobicContact CG1-CB 4.17Å; I60-A78 HydrophobicContact CD1-CB 4.49Å; I74-A78 WeakPolarHBondContact O-CB 3.37Å; I74-A78 PolarHBondContact O-N 3.24Å; I75-A78 PolarHBondContact O-N 3.12Å; A78-F80 VanDerWaalsContact C-N 3.35Å; A78-F80 PolarHBondContact O-N 3.05Å; A78-K81 PolarHBondContact O-N 3.34Å; A78-E82 WeakPolarHBondContact O-CG 3.29Å; A78-E82 PolarHBondContact O-N 2.85Å
79V86.5Confident82Confident0 Ų052.9 Ų52.90%026%0.258CS..Hα-helixtrans-59.2-45175.1172.30000111.3L31 I35 V56 I75 E82 L83L31-V79 HydrophobicContact CD2-CG2 4.42Å; I35-V79 HydrophobicContact CD1-CG1 3.88Å; I35-V79 HydrophobicContact CD1-CG2 4.32Å; V56-V79 HydrophobicContact CG1-CG2 4.18Å; I75-V79 WeakPolarHBondContact O-CG2 3.23Å; I75-V79 PolarHBondContact O-N 3.42Å; V79-E82 PolarHBondContact O-N 3.23Å; V79-L83 HydrophobicContact CG1-CD1 3.98Å; V79-L83 HydrophobicContact CG1-CG 4.46Å; V79-L83 WeakPolarHBondContact O-CB 3.41Å; V79-L83 VanDerWaalsContact O-CG 3.3Å; V79-L83 WeakPolarHBondContact O-CG 3.46Å; V79-L83 PolarHBondContact O-N 2.93Å
80F86Confident82.6Confident41 Ų4155.5 Ų55.518%0.1827%0.268CS..Hα-helixtrans-61.9-46.4177.7179.3-99.4000112.1Q76 S77 A78 E82 L83 V84 V291 Q292 L295Q76-F80 WeakPolarHBondContact O-CB 3.07Å; Q76-F80 PolarHBondContact O-N 3.3Å; S77-F80 PolarHBondContact O-N 3.28Å; A78-F80 VanDerWaalsContact C-N 3.35Å; A78-F80 PolarHBondContact O-N 3.05Å; F80-E82 PolarHBondContact O-N 3.31Å; F80-L83 PolarHBondContact O-N 2.87Å; F80-V84 HydrophobicContact CD1-CG2 4.19Å; F80-V84 HydrophobicContact CE1-CG2 3.79Å; F80-V84 HydrophobicContact CE2-CG2 4.3Å; F80-V84 HydrophobicContact CZ-CG2 3.86Å; F80-V84 WeakPolarHBondContact O-CG2 3.49Å; F80-V84 PolarHBondContact O-N 2.92Å; F80-V291 HydrophobicContact CD2-CB 4.43Å; F80-V291 HydrophobicContact CD2-CG1 3.58Å; F80-V291 HydrophobicContact CE2-CB 3.9Å; F80-V291 HydrophobicContact CE2-CG1 3.55Å; F80-V291 HydrophobicContact CZ-CG1 4.47Å; F80-Q292 HydrophobicContact CE2-CG 3.69Å; F80-Q292 HydrophobicContact CZ-CG 3.85Å; F80-L295 HydrophobicContact CB-CD1 4.14Å; F80-L295 HydrophobicContact CD2-CD1 3.56Å; F80-L295 HydrophobicContact CD2-CG 4.45Å; F80-L295 HydrophobicContact CE2-CD1 4.47Å; F80-L295 HydrophobicContact CG-CD1 4.33Å
81K88.2Confident82.8Confident135 Ų13554.2 Ų54.259%0.58726%0.264SS*.Hα-helixtrans-61.6-43.1178.9-76.7175.4-179-176.30111.9S77 A78 V84 H85S77-K81 WeakPolarHBondContact O-CB 3.41Å; S77-K81 VanDerWaalsContact O-CG 3.23Å; S77-K81 WeakPolarHBondContact O-CG 3.35Å; S77-K81 PolarHBondContact O-N 3.12Å; A78-K81 PolarHBondContact O-N 3.34Å; K81-V84 PolarHBondContact O-N 3.23Å; K81-H85 WeakPolarHBondContact O-CB 3.24Å; K81-H85 PolarHBondContact O-N 3.07Å
82E87.7Confident82.9Confident27 Ų2759.3 Ų59.313%0.12629%0.286CS..Hα-helixtrans-68.7-37.2177.7-71.5-57.3147.800112.3L52 N55 V56 A78 V79 F80 V84 H85 L86L52-E82 HydrophobicContact CD1-CB 4.42Å; L52-E82 HydrophobicContact CG-CB 4.22Å; N55-E82 VanDerWaalsContact CB-CD 3.41Å; N55-E82 HydrophobicContact CB-CG 4.07Å; N55-E82 WeakPolarHBondContact CB-OE2 3.43Å; N55-E82 PolarHBondContact ND2-OE2 2.95Å; V56-E82 HydrophobicContact CG2-CB 3.81Å; V56-E82 HydrophobicContact CG2-CG 3.56Å; A78-E82 WeakPolarHBondContact O-CG 3.29Å; A78-E82 PolarHBondContact O-N 2.85Å; V79-E82 PolarHBondContact O-N 3.23Å; F80-E82 PolarHBondContact O-N 3.31Å; E82-V84 VanDerWaalsContact C-N 3.33Å; E82-V84 PolarHBondContact O-N 3.49Å; E82-H85 PolarHBondContact O-N 3.26Å; E82-H85 IonicContact OE2-CD2 3.44Å; E82-L86 WeakPolarHBondContact O-CG 3.32Å; E82-L86 PolarHBondContact O-N 2.83Å
83L84.6Confident83Confident8 Ų857.1 Ų57.14%0.04229%0.285CS..Hα-helixtrans-63-40.1171.7-73.8172000112L39 L52 V79 F80 V87 V291 L295L39-L83 HydrophobicContact CD1-CD2 4.44Å; L39-L83 HydrophobicContact CD2-CD2 4.36Å; L52-L83 HydrophobicContact CD1-CD2 3.74Å; L52-L83 HydrophobicContact CD1-CG 4.24Å; V79-L83 HydrophobicContact CG1-CD1 3.98Å; V79-L83 HydrophobicContact CG1-CG 4.46Å; V79-L83 WeakPolarHBondContact O-CB 3.41Å; V79-L83 VanDerWaalsContact O-CG 3.3Å; V79-L83 WeakPolarHBondContact O-CG 3.46Å; V79-L83 PolarHBondContact O-N 2.93Å; F80-L83 PolarHBondContact O-N 2.87Å; L83-V87 WeakPolarHBondContact O-CG2 3.38Å; L83-V87 PolarHBondContact O-N 2.91Å; L83-V291 HydrophobicContact CB-CG1 3.71Å; L83-V291 HydrophobicContact CD1-CG1 4.32Å; L83-L295 HydrophobicContact CD1-CD2 3.79Å; L83-L295 HydrophobicContact CD1-CG 4.44Å
84V86.4Confident83.3Confident22 Ų2253.3 Ų53.313%0.13327%0.267CS..Hα-helixtrans-62.9-44.2172.8168.40000110.5F80 K81 E82 L86 V87 D88 V287 V291F80-V84 HydrophobicContact CD1-CG2 4.19Å; F80-V84 HydrophobicContact CE1-CG2 3.79Å; F80-V84 HydrophobicContact CE2-CG2 4.3Å; F80-V84 HydrophobicContact CZ-CG2 3.86Å; F80-V84 WeakPolarHBondContact O-CG2 3.49Å; F80-V84 PolarHBondContact O-N 2.92Å; K81-V84 PolarHBondContact O-N 3.23Å; E82-V84 VanDerWaalsContact C-N 3.33Å; E82-V84 PolarHBondContact O-N 3.49Å; V84-L86 VanDerWaalsContact C-N 3.32Å; V84-L86 PolarHBondContact O-N 2.95Å; V84-V87 PolarHBondContact O-N 3.32Å; V84-D88 HydrophobicContact CG1-CB 4.5Å; V84-D88 WeakPolarHBondContact O-CB 3.48Å; V84-D88 PolarHBondContact O-N 2.95Å; V84-V287 HydrophobicContact CB-CG1 4.36Å; V84-V287 HydrophobicContact CG1-CG1 3.88Å; V84-V287 HydrophobicContact CG2-CG1 4.45Å; V84-V291 HydrophobicContact CG2-CB 4.04Å; V84-V291 HydrophobicContact CG2-CG1 4.15Å; V84-V291 HydrophobicContact CG2-CG2 3.92Å
85H85.1Confident83.6Confident90 Ų9057.4 Ų57.442%0.41729%0.285SS..Hα-helixtrans-63-35.4-179.8-174.147.1000113.1K81 E82 V87K81-H85 WeakPolarHBondContact O-CB 3.24Å; K81-H85 PolarHBondContact O-N 3.07Å; E82-H85 PolarHBondContact O-N 3.26Å; E82-H85 IonicContact OE2-CD2 3.44Å; H85-V87 PolarHBondContact O-N 3.47Å
86L81.3Confident83.9Confident16 Ų1658.5 Ų58.58%0.08429%0.292CS..Hα-helixtrans-64.9-26.9173.7-74.6-174.6000113.7L48 L52 E82 V84L48-L86 HydrophobicContact CB-CD2 4.21Å; L48-L86 HydrophobicContact CD2-CD2 4.37Å; L52-L86 HydrophobicContact CB-CD1 4.09Å; L52-L86 HydrophobicContact CD1-CD1 3.43Å; L52-L86 VanDerWaalsContact CD1-CD1 3.43Å; L52-L86 HydrophobicContact CD1-CG 4.27Å; L52-L86 HydrophobicContact CG-CD1 4.37Å; E82-L86 WeakPolarHBondContact O-CG 3.32Å; E82-L86 PolarHBondContact O-N 2.83Å; V84-L86 VanDerWaalsContact C-N 3.32Å; V84-L86 PolarHBondContact O-N 2.95Å
87V80.3Confident84.3Confident5 Ų557.3 Ų57.33%0.0330%0.295CS..Hα-helixtrans-99-26.6-174.3-174.60000111.7L83 V84 H85 P89 L260 V263 F285 V287 V291L83-V87 WeakPolarHBondContact O-CG2 3.38Å; L83-V87 PolarHBondContact O-N 2.91Å; V84-V87 PolarHBondContact O-N 3.32Å; H85-V87 PolarHBondContact O-N 3.47Å; V87-P89 WeakPolarHBondContact O-CD 3.43Å; V87-L260 HydrophobicContact CB-CD2 4.07Å; V87-L260 HydrophobicContact CG1-CD2 4.29Å; V87-L260 HydrophobicContact CG2-CD2 3.21Å; V87-V263 WeakPolarHBondContact O-CG1 3.34Å; V87-F285 HydrophobicContact CG1-CE1 3.75Å; V87-F285 HydrophobicContact CG1-CZ 3.55Å; V87-V287 HydrophobicContact CB-CG1 3.7Å; V87-V287 HydrophobicContact CG1-CB 4.49Å; V87-V287 HydrophobicContact CG1-CG1 3.77Å; V87-V287 HydrophobicContact CG1-CG2 4.27Å; V87-V291 HydrophobicContact CG2-CG2 4.05Å
88D82.4Confident84.4Confident58 Ų5861 Ų6131%0.3130%0.302SS..  trans-99.9109.6-174.9-167.5-4.7000111.1V84 Q90 V287V84-D88 HydrophobicContact CG1-CB 4.5Å; V84-D88 WeakPolarHBondContact O-CB 3.48Å; V84-D88 PolarHBondContact O-N 2.95Å; D88-Q90 PolarHBondContact O-N 3.49Å; D88-Q90 WeakPolarHBondContact OD1-CA 3.41Å; D88-Q90 PolarHBondContact OD1-N 3.42Å; D88-V287 HydrophobicContact CB-CG1 4.16Å; D88-V287 HydrophobicContact CB-CG2 4.03Å
89P76.4Confident84.3Confident31 Ų3164.3 Ų64.320%0.20134%0.336CS..  trans-74.3-0.2174.130.8-31.5000113V87 V91 V263 P269V87-P89 WeakPolarHBondContact O-CD 3.43Å; P89-V91 HydrophobicContact CB-CG2 4.31Å; P89-V91 HydrophobicContact CG-CB 4.42Å; P89-V91 PolarHBondContact O-N 3.05Å; P89-V263 HydrophobicContact CB-CG1 4.06Å; P89-V263 HydrophobicContact CG-CG1 4.01Å; P89-P269 HydrophobicContact CG-CB 3.9Å
90Q78.5Confident84.4Confident153 Ų15366.8 Ų66.872%0.71535%0.354SS*.SBendtrans60.719.5-175.2-55.5-178.6-7.500113.8D88D88-Q90 PolarHBondContact O-N 3.49Å; D88-Q90 WeakPolarHBondContact OD1-CA 3.41Å; D88-Q90 PolarHBondContact OD1-N 3.42Å
91V78.6Confident84.8Confident75 Ų7566.5 Ų66.546%0.45536%0.356SS..PPolyproline II helixtrans-100.2127.3176.7178.70000108.9P89 A93 P269P89-V91 HydrophobicContact CB-CG2 4.31Å; P89-V91 HydrophobicContact CG-CB 4.42Å; P89-V91 PolarHBondContact O-N 3.05Å; V91-A93 PolarHBondContact O-N 3.5Å; V91-P269 HydrophobicContact CB-CG 4.38Å; V91-P269 HydrophobicContact CG1-CG 4.33Å
92K80.3Confident85.2Confident169 Ų16960.3 Ų60.374%0.73533%0.33SS*.PPolyproline II helixtrans-64.8127.3176-171.8-179.6177.4-175.10109.6
93A80.7Confident85.5Confident37 Ų3759.5 Ų59.531%0.30633%0.327SS..PPolyproline II helixtrans-56.9138.6172.800000111.4V91 T271V91-A93 PolarHBondContact O-N 3.5Å; A93-T271 HydrophobicContact CB-CG2 3.87Å
94W87.3Confident86.1Confident70 Ų7059.1 Ų59.127%0.26533%0.325SS..PPolyproline II helixtrans-58.3142.7172.1177.994.7000110.5P96 N102 I104 D215 H216W94-P96 VanDerWaalsContact CH2-CA 3.42Å; W94-P96 HydrophobicContact CH2-CB 3.53Å; W94-P96 HydrophobicContact CH2-CG 4.41Å; W94-P96 HydrophobicContact CZ2-CB 4.33Å; W94-P96 HydrophobicContact CZ3-CB 3.78Å; W94-P96 HydrophobicContact CZ3-CG 4.17Å; W94-N102 HydrophobicContact CH2-CB 3.69Å; W94-N102 HydrophobicContact CZ2-CB 3.95Å; W94-I104 HydrophobicContact CH2-CD1 4.24Å; W94-I104 HydrophobicContact CH2-CG1 4.3Å; W94-I104 HydrophobicContact CZ3-CD1 4.04Å; W94-I104 HydrophobicContact CZ3-CG1 4.43Å; W94-D215 HydrophobicContact CZ2-CB 4.05Å; W94-H216 VanDerWaalsContact CB-CE1 3.49Å; W94-H216 WeakPolarHBondContact CB-CE1 3.48Å; W94-H216 HydrophobicContact CD2-CB 3.82Å; W94-H216 AromaticContact CD2-CD2 3.98Å; W94-H216 AromaticContact CD2-CG 3.71Å; W94-H216 HydrophobicContact CE3-CB 4.01Å; W94-H216 AromaticContact CE3-CD2 3.58Å; W94-H216 AromaticContact CE3-CG 3.77Å; W94-H216 HydrophobicContact CG-CB 4.25Å; W94-H216 AromaticContact CG-CG 3.86Å; W94-H216 AromaticContact CG-ND1 3.71Å; W94-H216 HydrophobicContact CH2-CB 4.35Å; W94-H216 HydrophobicContact CZ2-CB 4.2Å; W94-H216 HydrophobicContact CZ3-CB 4.27Å
95Q87.6Confident86.5Confident135 Ų13558.1 Ų58.163%0.63132%0.319SS*.  trans-126.4131.8178.3-65.7-175.6-2.600109
96P90.8Very high87Confident24 Ų2453.8 Ų53.816%0.15630%0.299CS..PPolyproline II helixtrans-65.5143.2177.826-32.8000111.2W94 N102 Y125 W130 I186W94-P96 VanDerWaalsContact CH2-CA 3.42Å; W94-P96 HydrophobicContact CH2-CB 3.53Å; W94-P96 HydrophobicContact CH2-CG 4.41Å; W94-P96 HydrophobicContact CZ2-CB 4.33Å; W94-P96 HydrophobicContact CZ3-CB 3.78Å; W94-P96 HydrophobicContact CZ3-CG 4.17Å; P96-N102 WeakPolarHBondContact CA-OD1 3.25Å; P96-N102 HydrophobicContact CB-CB 4.43Å; P96-Y125 HydrophobicContact CG-CE1 3.79Å; P96-W130 HydrophobicContact CB-CH2 3.76Å; P96-W130 HydrophobicContact CB-CZ2 4.23Å; P96-W130 HydrophobicContact CB-CZ3 4.02Å; P96-W130 HydrophobicContact CG-CH2 3.83Å; P96-W130 HydrophobicContact CG-CZ2 3.77Å; P96-W130 HydrophobicContact CG-CZ3 4.43Å; P96-W130 WeakPolarHBondContact O-CH2 3.49Å; P96-I186 HydrophobicContact CB-CD1 3.57Å; P96-I186 HydrophobicContact CG-CD1 4.13Å
97A90.4Very high87.5Confident51 Ų5153 Ų5342%0.42130%0.295SS..PPolyproline II helixtrans-89.9133.7173.600000110.7S100 N102 W130A97-S100 PolarHBondContact O-OG 3.11Å; A97-N102 PolarHBondContact N-OD1 3.45Å; A97-N102 PolarHBondContact O-ND2 3.22Å; A97-W130 WeakPolarHBondContact O-CZ3 3.43Å
98R87.8Confident87.9Confident127 Ų12752.9 Ų52.948%0.47929%0.294SS..THydrogen-bonded Turntrans-72.7143.9175.5-76.1-73.6-174.4-174.64.4110.4S100 K128 G129 W130 E185R98-S100 VanDerWaalsContact C-N 3.26Å; R98-S100 PolarHBondContact O-N 3.18Å; R98-K128 PolarHBondContact NH2-O 3.14Å; R98-G129 PolarHBondContact NH1-O 3.08Å; R98-W130 HydrophobicContact CB-CH2 4.26Å; R98-W130 HydrophobicContact CB-CZ3 4.47Å; R98-W130 VanDerWaalsContact CD-CZ3 3.48Å; R98-W130 HydrophobicContact CG-CH2 3.48Å; R98-W130 VanDerWaalsContact CG-CH2 3.48Å; R98-W130 HydrophobicContact CG-CZ2 3.92Å; R98-W130 HydrophobicContact CG-CZ3 3.98Å; R98-W130 VanDerWaalsContact CZ-NE1 3.33Å; R98-W130 VanDerWaalsContact NE-CE2 3.33Å; R98-W130 VanDerWaalsContact NH2-CD1 3.32Å; R98-E185 WeakPolarHBondContact CD-OE1 2.93Å; R98-E185 IonicContact NH1-OE1 3.07Å; R98-E185 IonicContact NH1-OE2 3.36Å; R98-E185 PolarHBondContact NH1-OE2 3.06Å
99G83.4Confident88Confident76 Ų7651.1 Ų51.178%0.78428%0.284SS*.THydrogen-bonded Turntrans79.2-0.1176.900000115.6E185G99-E185 PolarHBondContact N-OE1 2.84Å; G99-E185 VanDerWaalsContact N-OE1 3.14Å
100S89.6Confident88.5Confident53 Ų5356.3 Ų56.337%0.37131%0.306SS..SBendtrans-117.3158.2168.559.30000110.7A97 R98 N102 E185A97-S100 PolarHBondContact O-OG 3.11Å; R98-S100 VanDerWaalsContact C-N 3.26Å; R98-S100 PolarHBondContact O-N 3.18Å; S100-N102 PolarHBondContact O-N 2.87Å; S100-N102 PolarHBondContact O-ND2 2.86Å; S100-N102 VanDerWaalsContact O-ND2 3.17Å; S100-E185 WeakPolarHBondContact O-CA 3.49Å
101S93.2Very high88.8Confident34 Ų3451.6 Ų51.624%0.23830%0.298CS..  trans-80.5114.5170.3-63.40000108.9F184S101-F184 WeakPolarHBondContact CA-O 3.42Å; S101-F184 WeakPolarHBondContact CB-O 3.4Å; S101-F184 PolarHBondContact OG-O 3.33Å
102N96.1Very high89.3Confident6 Ų648.2 Ų48.23%0.03228%0.278CS..EExtended strand (participates in β ladder)trans-98114.2176.4-53-101.2000108.7W94 P96 A97 S100 E185 I186 I187 D215W94-N102 HydrophobicContact CH2-CB 3.69Å; W94-N102 HydrophobicContact CZ2-CB 3.95Å; P96-N102 WeakPolarHBondContact CA-OD1 3.25Å; P96-N102 HydrophobicContact CB-CB 4.43Å; A97-N102 PolarHBondContact N-OD1 3.45Å; A97-N102 PolarHBondContact O-ND2 3.22Å; S100-N102 PolarHBondContact O-N 2.87Å; S100-N102 PolarHBondContact O-ND2 2.86Å; S100-N102 VanDerWaalsContact O-ND2 3.17Å; N102-E185 WeakPolarHBondContact CB-O 3.41Å; N102-E185 PolarHBondContact N-O 2.98Å; N102-E185 PolarHBondContact ND2-O 2.87Å; N102-I186 HydrophobicContact CB-CD1 4.16Å; N102-I187 PolarHBondContact O-N 3.45Å; N102-D215 VanDerWaalsContact CA-OD2 3.32Å; N102-D215 WeakPolarHBondContact CA-OD2 3.39Å
103V96Very high89.8Confident9 Ų941.2 Ų41.26%0.05525%0.253CS..EExtended strand (participates in β ladder)trans-93.1117.1-178.7-176.80000109.6V176 I187 V189 I212 P214 D215 H216V103-V176 HydrophobicContact CG1-CG2 4.12Å; V103-V176 HydrophobicContact CG2-CG1 3.91Å; V103-I187 HydrophobicContact CG2-CB 4.46Å; V103-I187 HydrophobicContact CG2-CD1 4.36Å; V103-V189 HydrophobicContact CG1-CG2 4.42Å; V103-I212 HydrophobicContact CG1-CB 4.47Å; V103-I212 HydrophobicContact CG1-CD1 4.06Å; V103-I212 HydrophobicContact CG1-CG1 4.32Å; V103-P214 HydrophobicContact CG1-CB 4.2Å; V103-P214 CarbonylContact O-C 3.55Å; V103-D215 PolarHBondContact N-OD2 3.21Å; V103-D215 PolarHBondContact O-N 2.66Å; V103-H216 PolarHBondContact O-N 3.37Å
104I96.3Very high90.3Very high1 Ų140 Ų401%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-113117.2-177.6-54.7179.6000108.9W94 L106 L121 Y125 I186 I187 I188 V189 H216 I218W94-I104 HydrophobicContact CH2-CD1 4.24Å; W94-I104 HydrophobicContact CH2-CG1 4.3Å; W94-I104 HydrophobicContact CZ3-CD1 4.04Å; W94-I104 HydrophobicContact CZ3-CG1 4.43Å; I104-L106 HydrophobicContact CG2-CD2 4.24Å; I104-L121 HydrophobicContact CD1-CD2 4.36Å; I104-L121 HydrophobicContact CG2-CD2 4.2Å; I104-Y125 HydrophobicContact CD1-CE2 4.43Å; I104-I186 HydrophobicContact CD1-CG2 3.99Å; I104-I187 PolarHBondContact N-O 2.87Å; I104-I188 HydrophobicContact CB-CG1 4.21Å; I104-I188 HydrophobicContact CD1-CG1 4.42Å; I104-I188 CarbonylContact O-C 3.54Å; I104-I188 WeakPolarHBondContact O-CA 3.43Å; I104-V189 PolarHBondContact O-N 3.44Å; I104-H216 CarbonylContact C-O 3.56Å; I104-H216 VanDerWaalsContact CA-O 3.28Å; I104-H216 WeakPolarHBondContact CA-O 3.41Å; I104-H216 HydrophobicContact CG1-CB 4.37Å; I104-I218 HydrophobicContact CG2-CD1 3.5Å; I104-I218 VanDerWaalsContact CG2-CD1 3.5Å; I104-I218 HydrophobicContact CG2-CG1 3.77Å
105M95.3Very high90.6Very high0 Ų037.1 Ų37.10%023%0.232CC..EExtended strand (participates in β ladder)trans-100.8123.4177.6-178171.5160.800110.6V107 T191 M205 V208 I212 P214 H216 V217 I218M105-V107 HydrophobicContact CE-CG1 3.59Å; M105-V107 HydrophobicContact CG-CG1 4.14Å; M105-T191 HydrophobicContact CE-CG2 3.86Å; M105-T191 HydrophobicContact CG-CG2 4.08Å; M105-M205 HydrophobicContact CE-CB 4.32Å; M105-V208 HydrophobicContact CE-CB 4.43Å; M105-V208 HydrophobicContact CE-CG1 4.22Å; M105-V208 HydrophobicContact SD-CG1 4.26Å; M105-I212 HydrophobicContact CB-CD1 4.31Å; M105-I212 HydrophobicContact CG-CD1 4.45Å; M105-I212 HydrophobicContact SD-CD1 4.11Å; M105-P214 HydrophobicContact CB-CB 3.8Å; M105-P214 HydrophobicContact CB-CG 4.06Å; M105-P214 HydrophobicContact SD-CG 4.22Å; M105-H216 PolarHBondContact N-O 3.04Å; M105-V217 WeakPolarHBondContact O-CA 3.38Å; M105-I218 PolarHBondContact O-N 3.31Å
106L94.7Very high90.9Very high0 Ų033 Ų330%022%0.216CC..EExtended strand (participates in β ladder)trans-94.1124.4175.5-56.8-173.7000110.1I104 A118 L121 I188 V189 T191 I218 V220I104-L106 HydrophobicContact CG2-CD2 4.24Å; L106-A118 HydrophobicContact CD1-CB 3.56Å; L106-L121 HydrophobicContact CD2-CD2 4.39Å; L106-I188 HydrophobicContact CD1-CG2 3.92Å; L106-I188 HydrophobicContact CG-CG2 4.06Å; L106-V189 PolarHBondContact N-O 3.24Å; L106-T191 PolarHBondContact O-OG1 3.34Å; L106-I218 HydrophobicContact CD2-CB 3.74Å; L106-I218 HydrophobicContact CD2-CD1 4.08Å; L106-I218 HydrophobicContact CD2-CG1 4.2Å; L106-I218 HydrophobicContact CD2-CG2 4.3Å; L106-V220 HydrophobicContact CB-CG2 4.37Å; L106-V220 HydrophobicContact CD2-CG2 4.41Å
107V91.7Very high91.1Very high0 Ų032 Ų320%021%0.209CC..EExtended strand (participates in β ladder)trans-124.7157.1177.1-62.10000110.8M105 M205 V217 I218 Y219 V220 F236 V242M105-V107 HydrophobicContact CE-CG1 3.59Å; M105-V107 HydrophobicContact CG-CG1 4.14Å; V107-M205 HydrophobicContact CB-SD 4.37Å; V107-M205 HydrophobicContact CG1-SD 4.18Å; V107-V217 HydrophobicContact CG1-CG1 4.13Å; V107-V217 HydrophobicContact CG2-CG1 3.78Å; V107-I218 PolarHBondContact N-O 3.16Å; V107-Y219 HydrophobicContact CG2-CD2 4.33Å; V107-Y219 CarbonylContact O-C 3.6Å; V107-Y219 WeakPolarHBondContact O-CA 3.22Å; V107-V220 PolarHBondContact O-N 3.24Å; V107-F236 HydrophobicContact CB-CD1 4.31Å; V107-F236 HydrophobicContact CB-CE1 4.35Å; V107-F236 HydrophobicContact CG2-CD1 4.28Å; V107-V242 HydrophobicContact CG2-CG2 4.2Å
108G89.2Confident91.4Very high1 Ų129.6 Ų29.61%0.0119%0.189CC..  trans151.5171.6179.300000113.6K114 G193G108-K114 PolarHBondContact O-NZ 2.77Å; G108-G193 WeakPolarHBondContact O-CA 3.28Å
109L85.2Confident91.8Very high21 Ų2123.6 Ų23.611%0.1117%0.167CC..  trans-62.6166-175.8-65.1177.1000113.2G111 C112 K114 R194 I225 Q232 F236L109-G111 PolarHBondContact O-N 2.87Å; L109-C112 PolarHBondContact O-SG 3.06Å; L109-K114 PolarHBondContact O-NZ 3.41Å; L109-R194 VanDerWaalsContact CD2-O 3.27Å; L109-R194 WeakPolarHBondContact CD2-O 3.31Å; L109-I225 HydrophobicContact CD1-CD1 3.47Å; L109-I225 VanDerWaalsContact CD1-CD1 3.47Å; L109-Q232 HydrophobicContact CD1-CB 4.34Å; L109-Q232 HydrophobicContact CD1-CG 4Å; L109-F236 HydrophobicContact CD2-CE2 3.91Å; L109-F236 HydrophobicContact CD2-CZ 4.3Å; L109-F236 HydrophobicContact CG-CE2 4.33Å
110Q85.5Confident92.4Very high141 Ų14120.3 Ų20.366%0.65913%0.131SC*.THydrogen-bonded Turntrans-61.6136.7171.6-161.9176.1-6.400110.6C112 G193Q110-C112 PolarHBondContact O-N 3.29Å; Q110-G193 VanDerWaalsContact CB-O 3.24Å; Q110-G193 WeakPolarHBondContact CB-O 3.42Å; Q110-G193 WeakPolarHBondContact CG-O 3.46Å
111G85.9Confident92.7Very high54 Ų5417.8 Ų17.856%0.55711%0.113SC*.THydrogen-bonded Turntrans73.44.2174.200000116L109 G113 K249L109-G111 PolarHBondContact O-N 2.87Å; G111-G113 PolarHBondContact O-N 2.89Å; G111-K249 PolarHBondContact O-NZ 2.92Å
112C87.9Confident92.8Very high4 Ų416.2 Ų16.23%0.02710%0.102CC..SBendtrans-74.1-6.417670.90000114.1L109 Q110 V220 D222 T248L109-C112 PolarHBondContact O-SG 3.06Å; Q110-C112 PolarHBondContact O-N 3.29Å; C112-V220 PolarHBondContact SG-O 3.15Å; C112-D222 HydrophobicContact CB-CB 4.12Å; C112-T248 WeakPolarHBondContact O-CB 3.32Å; C112-T248 WeakPolarHBondContact O-CG2 3.4Å; C112-T248 PolarHBondContact O-OG1 3.36Å
113G90.4Very high92.8Very high21 Ų2118.4 Ų18.422%0.21611%0.11CC..  trans95.226.2175.600000115.5G111 T116 T117G111-G113 PolarHBondContact O-N 2.89Å; G113-T116 PolarHBondContact O-N 3.19Å; G113-T117 VanDerWaalsContact O-CB 3.27Å; G113-T117 WeakPolarHBondContact O-CB 3.41Å; G113-T117 PolarHBondContact O-N 2.97Å; G113-T117 PolarHBondContact O-OG1 3.02Å
114K93.1Very high92.7Very high13 Ų1319.7 Ų19.76%0.05712%0.115CC..Hα-helixtrans-52.6-57.4177.1-65.6-168.9-63.7-69.90113.5G108 L109 T116 T117 A118 D190 T191 S192 V220G108-K114 PolarHBondContact O-NZ 2.77Å; L109-K114 PolarHBondContact O-NZ 3.41Å; K114-T116 VanDerWaalsContact C-N 3.3Å; K114-T116 PolarHBondContact O-N 3.48Å; K114-T117 CarbonylContact O-C 3.56Å; K114-T117 WeakPolarHBondContact O-CA 3.42Å; K114-T117 WeakPolarHBondContact O-CB 3.44Å; K114-T117 PolarHBondContact O-N 2.91Å; K114-A118 PolarHBondContact O-N 3.14Å; K114-D190 VanDerWaalsContact CB-OD1 3.24Å; K114-D190 WeakPolarHBondContact CB-OD1 3.45Å; K114-T191 WeakPolarHBondContact CE-O 3.24Å; K114-S192 WeakPolarHBondContact CE-O 3.2Å; K114-V220 HydrophobicContact CG-CB 3.96Å; K114-V220 HydrophobicContact CG-CG1 4.46Å; K114-V220 HydrophobicContact CG-CG2 4.13Å
115T93.3Very high92.6Very high9 Ų920.6 Ų20.66%0.05512%0.118CC..Hα-helixtrans-56.4-41.7179.9-45.50000113A118 T119 Q147 L148 D190T115-A118 WeakPolarHBondContact O-CB 3.34Å; T115-A118 PolarHBondContact O-N 3.41Å; T115-T119 PolarHBondContact O-N 2.78Å; T115-T119 PolarHBondContact O-OG1 3.23Å; T115-Q147 HydrophobicContact CG2-CG 4.23Å; T115-L148 HydrophobicContact CG2-CB 3.9Å; T115-L148 HydrophobicContact CG2-CD1 4.4Å; T115-L148 HydrophobicContact CG2-CG 4.47Å; T115-D190 WeakPolarHBondContact CA-OD2 3.5Å; T115-D190 WeakPolarHBondContact CB-OD2 3.46Å; T115-D190 WeakPolarHBondContact CG2-OD2 3.34Å; T115-D190 PolarHBondContact N-OD1 2.79Å; T115-D190 PolarHBondContact OG1-OD2 3.48Å
116T93.5Very high92.5Very high48 Ų4823.5 Ų23.529%0.29413%0.132SC..Hα-helixtrans-67.1-42.3175.8-53.80000111.1G113 K114 A118 T119 K120G113-T116 PolarHBondContact O-N 3.19Å; K114-T116 VanDerWaalsContact C-N 3.3Å; K114-T116 PolarHBondContact O-N 3.48Å; T116-A118 VanDerWaalsContact C-N 3.34Å; T116-T119 PolarHBondContact O-N 2.86Å; T116-K120 HydrophobicContact CG2-CD 4.25Å; T116-K120 WeakPolarHBondContact O-CG 3.29Å; T116-K120 PolarHBondContact O-N 3.36Å
117T95.4Very high92.3Very high3 Ų331.4 Ų31.42%0.01816%0.162CC..Hα-helixtrans-65.1-37177.4-57.50000111.6G113 K114 T119 K120 L121 V220 I246 T248 F282G113-T117 VanDerWaalsContact O-CB 3.27Å; G113-T117 WeakPolarHBondContact O-CB 3.41Å; G113-T117 PolarHBondContact O-N 2.97Å; G113-T117 PolarHBondContact O-OG1 3.02Å; K114-T117 CarbonylContact O-C 3.56Å; K114-T117 WeakPolarHBondContact O-CA 3.42Å; K114-T117 WeakPolarHBondContact O-CB 3.44Å; K114-T117 PolarHBondContact O-N 2.91Å; T117-T119 VanDerWaalsContact C-N 3.34Å; T117-T119 PolarHBondContact O-N 3.17Å; T117-K120 PolarHBondContact O-N 2.84Å; T117-L121 VanDerWaalsContact O-CB 3.26Å; T117-L121 WeakPolarHBondContact O-CB 3.4Å; T117-L121 PolarHBondContact O-N 2.76Å; T117-V220 HydrophobicContact CG2-CG1 4.5Å; T117-V220 HydrophobicContact CG2-CG2 4.22Å; T117-I246 HydrophobicContact CG2-CB 4.39Å; T117-I246 HydrophobicContact CG2-CD1 3.7Å; T117-I246 HydrophobicContact CG2-CG2 3.8Å; T117-T248 WeakPolarHBondContact OG1-CG2 3.08Å; T117-F282 HydrophobicContact CG2-CE2 4.1Å; T117-F282 HydrophobicContact CG2-CZ 4.43Å
118A95.9Very high92.2Very high0 Ų036.2 Ų36.20%018%0.183CC..Hα-helixtrans-56.8-48.7174.600000111.2L106 K114 T115 T116 L121 A122 M134 I188 D190L106-A118 HydrophobicContact CD1-CB 3.56Å; K114-A118 PolarHBondContact O-N 3.14Å; T115-A118 WeakPolarHBondContact O-CB 3.34Å; T115-A118 PolarHBondContact O-N 3.41Å; T116-A118 VanDerWaalsContact C-N 3.34Å; A118-L121 PolarHBondContact O-N 3.45Å; A118-A122 VanDerWaalsContact O-CB 3.28Å; A118-A122 WeakPolarHBondContact O-CB 3.5Å; A118-A122 PolarHBondContact O-N 3.49Å; A118-M134 HydrophobicContact CB-SD 4.15Å; A118-I188 HydrophobicContact CB-CG2 3.85Å; A118-D190 HydrophobicContact CB-CB 4.37Å
119T96.1Very high92.3Very high2 Ų238.9 Ų38.91%0.01221%0.21CC..Hα-helixtrans-64.5-43.6178-53.10000111.6T115 T116 T117 A122 Y123 M134 N151 A155 I157 V279T115-T119 PolarHBondContact O-N 2.78Å; T115-T119 PolarHBondContact O-OG1 3.23Å; T116-T119 PolarHBondContact O-N 2.86Å; T117-T119 VanDerWaalsContact C-N 3.34Å; T117-T119 PolarHBondContact O-N 3.17Å; T119-A122 PolarHBondContact O-N 3.32Å; T119-Y123 VanDerWaalsContact O-CB 3.26Å; T119-Y123 WeakPolarHBondContact O-CB 3.5Å; T119-Y123 PolarHBondContact O-N 2.96Å; T119-M134 WeakPolarHBondContact CA-SD 3.36Å; T119-M134 HydrophobicContact CG2-CE 4.45Å; T119-N151 HydrophobicContact CG2-CB 3.86Å; T119-N151 VanDerWaalsContact OG1-CB 3.28Å; T119-N151 WeakPolarHBondContact OG1-CB 3.41Å; T119-A155 HydrophobicContact CG2-CB 4.02Å; T119-I157 HydrophobicContact CG2-CD1 4.45Å; T119-V279 HydrophobicContact CG2-CG1 4.23Å; T119-V279 HydrophobicContact CG2-CG2 4.37Å
120K95.9Very high92.8Very high6 Ų639.2 Ų39.23%0.02621%0.21CC..Hα-helixtrans-62.3-45.2178.4-73.6174.9171.5-147.20112.5T116 T117 Y123 F124 G276 H278 D281 F282T116-K120 HydrophobicContact CG2-CD 4.25Å; T116-K120 WeakPolarHBondContact O-CG 3.29Å; T116-K120 PolarHBondContact O-N 3.36Å; T117-K120 PolarHBondContact O-N 2.84Å; K120-Y123 PolarHBondContact O-N 3.05Å; K120-F124 WeakPolarHBondContact O-CB 3.49Å; K120-F124 PolarHBondContact O-N 2.85Å; K120-G276 PolarHBondContact NZ-O 3.07Å; K120-H278 WeakPolarHBondContact CE-O 3.43Å; K120-H278 PolarHBondContact NZ-O 3.5Å; K120-D281 PolarHBondContact NZ-O 3.34Å; K120-F282 HydrophobicContact CB-CB 3.84Å; K120-F282 HydrophobicContact CB-CD1 4.1Å; K120-F282 HydrophobicContact CB-CD2 3.86Å; K120-F282 HydrophobicContact CB-CE2 4.4Å; K120-F282 HydrophobicContact CB-CG 3.68Å; K120-F282 HydrophobicContact CD-CB 4.09Å; K120-F282 HydrophobicContact CD-CD2 4.03Å; K120-F282 HydrophobicContact CD-CG 4.33Å; K120-F282 HydrophobicContact CG-CB 4.2Å; K120-F282 HydrophobicContact CG-CG 4.46Å
121L95.7Very high93.3Very high1 Ų137 Ų371%0.00520%0.198CC..Hα-helixtrans-64.7-45.9179-174.264.9000111.2I104 L106 T117 A118 F124 Y125 I188 I218 F272 F282I104-L121 HydrophobicContact CD1-CD2 4.36Å; I104-L121 HydrophobicContact CG2-CD2 4.2Å; L106-L121 HydrophobicContact CD2-CD2 4.39Å; T117-L121 VanDerWaalsContact O-CB 3.26Å; T117-L121 WeakPolarHBondContact O-CB 3.4Å; T117-L121 PolarHBondContact O-N 2.76Å; A118-L121 PolarHBondContact O-N 3.45Å; L121-F124 PolarHBondContact O-N 3.34Å; L121-Y125 HydrophobicContact CD1-CD2 4.03Å; L121-Y125 HydrophobicContact CD1-CE2 3.51Å; L121-Y125 HydrophobicContact CG-CD2 4.1Å; L121-Y125 HydrophobicContact CG-CE2 3.91Å; L121-Y125 VanDerWaalsContact O-CD2 3.29Å; L121-Y125 WeakPolarHBondContact O-CD2 3.38Å; L121-Y125 PolarHBondContact O-N 2.89Å; L121-Y125 VanDerWaalsContact O-N 3.12Å; L121-I188 HydrophobicContact CB-CD1 4.09Å; L121-I188 HydrophobicContact CD2-CD1 4.02Å; L121-I188 HydrophobicContact CD2-CG1 4.25Å; L121-I188 HydrophobicContact CG-CD1 3.95Å; L121-I218 HydrophobicContact CD2-CD1 3.87Å; L121-F272 HydrophobicContact CD1-CD2 4.01Å; L121-F272 HydrophobicContact CD1-CE2 3.68Å; L121-F272 HydrophobicContact CD1-CZ 4.04Å; L121-F282 HydrophobicContact CB-CE1 4.2Å; L121-F282 HydrophobicContact CB-CZ 4.27Å; L121-F282 HydrophobicContact CD1-CE1 3.79Å; L121-F282 HydrophobicContact CD1-CZ 4.01Å
122A96Very high93.8Very high0 Ų034.7 Ų34.70%017%0.173CC..Hα-helixtrans-60.7-46.2175.600000111.2A118 T119 F124 Y125 Q126 T132 M134 I157 I188A118-A122 VanDerWaalsContact O-CB 3.28Å; A118-A122 WeakPolarHBondContact O-CB 3.5Å; A118-A122 PolarHBondContact O-N 3.49Å; T119-A122 PolarHBondContact O-N 3.32Å; A122-F124 PolarHBondContact O-N 3.45Å; A122-Y125 PolarHBondContact O-N 2.75Å; A122-Q126 VanDerWaalsContact O-CB 3.32Å; A122-Q126 WeakPolarHBondContact O-CB 3.35Å; A122-Q126 PolarHBondContact O-N 3.32Å; A122-T132 WeakPolarHBondContact O-CG2 3.42Å; A122-T132 PolarHBondContact O-OG1 2.96Å; A122-M134 HydrophobicContact CB-CG 3.98Å; A122-M134 HydrophobicContact CB-SD 4.13Å; A122-I157 HydrophobicContact CB-CD1 3.62Å; A122-I157 HydrophobicContact CB-CG1 4.44Å; A122-I157 HydrophobicContact CB-CG2 4.16Å; A122-I188 HydrophobicContact CB-CD1 3.59Å
123Y95.3Very high94.2Very high52 Ų5234.5 Ų34.520%0.20417%0.172CC..Hα-helixtrans-63.5-39.8177.6-176.8-106000112.8T119 K120 Y125 Q126 R127 A155 V279 E280T119-Y123 VanDerWaalsContact O-CB 3.26Å; T119-Y123 WeakPolarHBondContact O-CB 3.5Å; T119-Y123 PolarHBondContact O-N 2.96Å; K120-Y123 PolarHBondContact O-N 3.05Å; Y123-Y125 PolarHBondContact O-N 3.14Å; Y123-Q126 PolarHBondContact O-N 3.36Å; Y123-R127 HydrophobicContact CD1-CG 4.43Å; Y123-R127 HydrophobicContact CE1-CG 4.04Å; Y123-R127 HydrophobicContact CE2-CG 4.42Å; Y123-R127 WeakPolarHBondContact O-CG 3.26Å; Y123-R127 PolarHBondContact O-N 3.33Å; Y123-A155 HydrophobicContact CD2-CB 4.1Å; Y123-V279 VanDerWaalsContact CB-CG1 3.45Å; Y123-V279 HydrophobicContact CD1-CB 4.5Å; Y123-V279 HydrophobicContact CD1-CG1 3.56Å; Y123-V279 HydrophobicContact CD2-CG1 4.08Å; Y123-V279 HydrophobicContact CE1-CG1 4.29Å; Y123-V279 HydrophobicContact CG-CG1 3.42Å; Y123-V279 VanDerWaalsContact CG-CG1 3.42Å; Y123-E280 HydrophobicContact CE1-CG 3.95Å
124F94.2Very high94.5Very high36 Ų3633.5 Ų33.516%0.15816%0.162CC..Hα-helixtrans-58.9-47.7175.8174.5-94.4000112.1K120 L121 A122 R127 K128 F272 F282K120-F124 WeakPolarHBondContact O-CB 3.49Å; K120-F124 PolarHBondContact O-N 2.85Å; L121-F124 PolarHBondContact O-N 3.34Å; A122-F124 PolarHBondContact O-N 3.45Å; F124-R127 PolarHBondContact O-N 3.26Å; F124-K128 HydrophobicContact CE1-CD 3.92Å; F124-K128 HydrophobicContact CZ-CD 4.14Å; F124-K128 PolarHBondContact O-N 3.33Å; F124-F272 AromaticContact CD1-CE1 3.82Å; F124-F272 HydrophobicContact CD1-CE1 3.82Å; F124-F272 HydrophobicContact CD1-CZ 4Å; F124-F272 HydrophobicContact CD2-CE1 4.41Å; F124-F272 AromaticContact CE1-CE1 3.48Å; F124-F272 HydrophobicContact CE1-CE1 3.48Å; F124-F272 VanDerWaalsContact CE1-CE1 3.48Å; F124-F272 AromaticContact CE1-CZ 3.66Å; F124-F272 HydrophobicContact CE1-CZ 3.66Å; F124-F272 HydrophobicContact CE2-CE1 4.12Å; F124-F272 HydrophobicContact CG-CE1 4.26Å; F124-F272 AromaticContact CZ-CE1 3.62Å; F124-F272 HydrophobicContact CZ-CE1 3.62Å; F124-F272 HydrophobicContact CZ-CZ 4.21Å; F124-F282 HydrophobicContact CB-CD1 4.04Å; F124-F282 HydrophobicContact CB-CE1 4.38Å; F124-F282 HydrophobicContact CG-CD1 4.4Å
125Y94.4Very high94.7Very high20 Ų2032.9 Ų32.98%0.07816%0.159CC..Hα-helixtrans-71.1-35.7177-75-61.3000112.3P96 I104 L121 A122 Y123 R127 K128 G129 W130 I186P96-Y125 HydrophobicContact CG-CE1 3.79Å; I104-Y125 HydrophobicContact CD1-CE2 4.43Å; L121-Y125 HydrophobicContact CD1-CD2 4.03Å; L121-Y125 HydrophobicContact CD1-CE2 3.51Å; L121-Y125 HydrophobicContact CG-CD2 4.1Å; L121-Y125 HydrophobicContact CG-CE2 3.91Å; L121-Y125 VanDerWaalsContact O-CD2 3.29Å; L121-Y125 WeakPolarHBondContact O-CD2 3.38Å; L121-Y125 PolarHBondContact O-N 2.89Å; L121-Y125 VanDerWaalsContact O-N 3.12Å; A122-Y125 PolarHBondContact O-N 2.75Å; Y123-Y125 PolarHBondContact O-N 3.14Å; Y125-R127 VanDerWaalsContact C-N 3.31Å; Y125-R127 PolarHBondContact O-N 2.78Å; Y125-K128 CarbonylContact O-C 3.51Å; Y125-K128 WeakPolarHBondContact O-CA 3.27Å; Y125-K128 WeakPolarHBondContact O-CB 3.35Å; Y125-K128 PolarHBondContact O-N 3.42Å; Y125-G129 PolarHBondContact O-N 3.25Å; Y125-W130 AromaticContact CD1-CD1 3.89Å; Y125-W130 HydrophobicContact CD1-CG 4.32Å; Y125-W130 AromaticContact CD1-NE1 3.94Å; Y125-W130 WeakPolarHBondContact O-CB 3.25Å; Y125-W130 VanDerWaalsContact O-CD1 3.24Å; Y125-W130 PolarHBondContact O-N 2.91Å; Y125-I186 HydrophobicContact CD2-CG2 4.12Å; Y125-I186 HydrophobicContact CG-CG1 4.33Å
126Q93.6Very high94.8Very high62 Ų6232.7 Ų32.729%0.2916%0.158SC..Hα-helixtrans-57.9-43.4173.4-172.2-174.449.200111.5A122 Y123 K128 G129 T132 A155 R156A122-Q126 VanDerWaalsContact O-CB 3.32Å; A122-Q126 WeakPolarHBondContact O-CB 3.35Å; A122-Q126 PolarHBondContact O-N 3.32Å; Y123-Q126 PolarHBondContact O-N 3.36Å; Q126-K128 PolarHBondContact O-N 2.96Å; Q126-G129 WeakPolarHBondContact O-CA 3.42Å; Q126-G129 PolarHBondContact O-N 2.96Å; Q126-T132 HydrophobicContact CB-CG2 4.23Å; Q126-A155 PolarHBondContact OE1-O 3.08Å; Q126-R156 PolarHBondContact NE2-O 3.37Å
127R90.5Very high94.8Very high166 Ų16630.5 Ų30.563%0.62615%0.145SC*.Hα-helixtrans-62.4-28.3174.5-76-175.362.2-160.9-2.3113.4Y123 F124 Y125 G129Y123-R127 HydrophobicContact CD1-CG 4.43Å; Y123-R127 HydrophobicContact CE1-CG 4.04Å; Y123-R127 HydrophobicContact CE2-CG 4.42Å; Y123-R127 WeakPolarHBondContact O-CG 3.26Å; Y123-R127 PolarHBondContact O-N 3.33Å; F124-R127 PolarHBondContact O-N 3.26Å; Y125-R127 VanDerWaalsContact C-N 3.31Å; Y125-R127 PolarHBondContact O-N 2.78Å; R127-G129 PolarHBondContact O-N 3.47Å
128K89.9Confident94.5Very high101 Ų10131.1 Ų31.144%0.43915%0.148SC..THydrogen-bonded Turntrans-83.59.1172.6-69.1-174.6174.4-1710113.3R98 F124 Y125 Q126R98-K128 PolarHBondContact NH2-O 3.14Å; F124-K128 HydrophobicContact CE1-CD 3.92Å; F124-K128 HydrophobicContact CZ-CD 4.14Å; F124-K128 PolarHBondContact O-N 3.33Å; Y125-K128 CarbonylContact O-C 3.51Å; Y125-K128 WeakPolarHBondContact O-CA 3.27Å; Y125-K128 WeakPolarHBondContact O-CB 3.35Å; Y125-K128 PolarHBondContact O-N 3.42Å; Q126-K128 PolarHBondContact O-N 2.96Å
129G91.7Very high94.1Very high57 Ų5733.1 Ų33.159%0.58816%0.16SC*.THydrogen-bonded Turntrans76.425177.600000114.2R98 Y125 Q126 R127R98-G129 PolarHBondContact NH1-O 3.08Å; Y125-G129 PolarHBondContact O-N 3.25Å; Q126-G129 WeakPolarHBondContact O-CA 3.42Å; Q126-G129 PolarHBondContact O-N 2.96Å; R127-G129 PolarHBondContact O-N 3.47Å
130W94.9Very high93.5Very high28 Ų2838.1 Ų38.111%0.10618%0.182CC..  trans-87.8147.6170.8-63.679000110.9P96 A97 R98 Y125 T132 E185 I186P96-W130 HydrophobicContact CB-CH2 3.76Å; P96-W130 HydrophobicContact CB-CZ2 4.23Å; P96-W130 HydrophobicContact CB-CZ3 4.02Å; P96-W130 HydrophobicContact CG-CH2 3.83Å; P96-W130 HydrophobicContact CG-CZ2 3.77Å; P96-W130 HydrophobicContact CG-CZ3 4.43Å; P96-W130 WeakPolarHBondContact O-CH2 3.49Å; A97-W130 WeakPolarHBondContact O-CZ3 3.43Å; R98-W130 HydrophobicContact CB-CH2 4.26Å; R98-W130 HydrophobicContact CB-CZ3 4.47Å; R98-W130 VanDerWaalsContact CD-CZ3 3.48Å; R98-W130 HydrophobicContact CG-CH2 3.48Å; R98-W130 VanDerWaalsContact CG-CH2 3.48Å; R98-W130 HydrophobicContact CG-CZ2 3.92Å; R98-W130 HydrophobicContact CG-CZ3 3.98Å; R98-W130 VanDerWaalsContact CZ-NE1 3.33Å; R98-W130 VanDerWaalsContact NE-CE2 3.33Å; R98-W130 VanDerWaalsContact NH2-CD1 3.32Å; Y125-W130 AromaticContact CD1-CD1 3.89Å; Y125-W130 HydrophobicContact CD1-CG 4.32Å; Y125-W130 AromaticContact CD1-NE1 3.94Å; Y125-W130 WeakPolarHBondContact O-CB 3.25Å; Y125-W130 VanDerWaalsContact O-CD1 3.24Å; Y125-W130 PolarHBondContact O-N 2.91Å; W130-T132 HydrophobicContact CB-CG2 4.04Å; W130-T132 PolarHBondContact O-N 2.92Å; W130-E185 HydrophobicContact CE3-CB 3.69Å; W130-E185 HydrophobicContact CE3-CG 4.38Å; W130-E185 HydrophobicContact CZ3-CB 4.19Å; W130-I186 HydrophobicContact CB-CG1 3.91Å; W130-I186 HydrophobicContact CD2-CD1 4.19Å; W130-I186 HydrophobicContact CD2-CG1 4.06Å; W130-I186 HydrophobicContact CE3-CD1 3.78Å; W130-I186 HydrophobicContact CE3-CG1 3.82Å; W130-I186 HydrophobicContact CG-CG1 4.15Å; W130-I186 HydrophobicContact CZ3-CD1 4.16Å
131K95.1Very high92.9Very high94 Ų9443.6 Ų43.641%0.40920%0.203SC..  trans-84.4101171.2-161.7-175.9177.2-172.90109.5E182 F184 E185 I186K131-E182 PolarHBondContact NZ-O 3.5Å; K131-F184 HydrophobicContact CB-CD1 4.38Å; K131-F184 HydrophobicContact CD-CD1 4.14Å; K131-F184 HydrophobicContact CD-CD2 4.3Å; K131-F184 HydrophobicContact CD-CE1 4.24Å; K131-F184 HydrophobicContact CD-CE2 4.4Å; K131-F184 HydrophobicContact CD-CG 4.17Å; K131-F184 HydrophobicContact CD-CZ 4.39Å; K131-F184 VanDerWaalsContact CE-CE2 3.5Å; K131-F184 VanDerWaalsContact CE-CZ 3.49Å; K131-F184 HydrophobicContact CG-CD1 3.63Å; K131-F184 HydrophobicContact CG-CE1 3.75Å; K131-F184 HydrophobicContact CG-CG 4.13Å; K131-F184 HydrophobicContact CG-CZ 4.34Å; K131-E185 PolarHBondContact N-OE2 3.12Å; K131-E185 PolarHBondContact O-N 3.4Å; K131-I186 PolarHBondContact O-N 2.94Å; K131-I186 VanDerWaalsContact O-N 3.12Å
132T96.9Very high92.5Very high5 Ų548.3 Ų48.33%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-106.7144.3-171.565.20000112.9A122 Q126 W130 P158 F184 I186A122-T132 WeakPolarHBondContact O-CG2 3.42Å; A122-T132 PolarHBondContact O-OG1 2.96Å; Q126-T132 HydrophobicContact CB-CG2 4.23Å; W130-T132 HydrophobicContact CB-CG2 4.04Å; W130-T132 PolarHBondContact O-N 2.92Å; T132-P158 WeakPolarHBondContact O-CD 3.25Å; T132-F184 WeakPolarHBondContact O-CE1 3.2Å; T132-I186 CarbonylContact C-O 3.47Å; T132-I186 WeakPolarHBondContact CA-O 3.32Å; T132-I186 HydrophobicContact CG2-CB 3.97Å; T132-I186 HydrophobicContact CG2-CG1 4.3Å; T132-I186 HydrophobicContact CG2-CG2 4.39Å
133C96.8Very high92.1Very high0 Ų050.2 Ų50.20%026%0.261CS..EExtended strand (participates in β ladder)trans-138.8165.8170.858.40000111.7P158 F179 F184 I186 I188C133-P158 VanDerWaalsContact CA-O 3.3Å; C133-P158 WeakPolarHBondContact CA-O 3.33Å; C133-P158 HydrophobicContact CB-CB 4.37Å; C133-F179 HydrophobicContact CB-CD1 3.79Å; C133-F179 HydrophobicContact CB-CD2 3.82Å; C133-F179 HydrophobicContact CB-CE1 3.7Å; C133-F179 HydrophobicContact CB-CE2 3.71Å; C133-F179 HydrophobicContact CB-CG 3.86Å; C133-F179 HydrophobicContact CB-CZ 3.67Å; C133-F179 VanDerWaalsContact SG-CB 3.6Å; C133-F179 WeakPolarHBondContact SG-CD2 3.3Å; C133-F179 WeakPolarHBondContact SG-CG 3.42Å; C133-F184 HydrophobicContact CB-CD1 3.56Å; C133-F184 HydrophobicContact CB-CE1 3.76Å; C133-F184 HydrophobicContact CB-CG 4.15Å; C133-F184 HydrophobicContact CB-CZ 4.48Å; C133-I186 PolarHBondContact N-O 2.92Å; C133-I188 PolarHBondContact O-N 3.2Å
134M97.2Very high91.8Very high0 Ų047.8 Ų47.80%025%0.252CS..EExtended strand (participates in β ladder)trans-126.8142.4177.7-64.4-170.9-61.800111.7A118 T119 A122 L148 A152 I157 P158 F159 Y160 I188A118-M134 HydrophobicContact CB-SD 4.15Å; T119-M134 WeakPolarHBondContact CA-SD 3.36Å; T119-M134 HydrophobicContact CG2-CE 4.45Å; A122-M134 HydrophobicContact CB-CG 3.98Å; A122-M134 HydrophobicContact CB-SD 4.13Å; M134-L148 HydrophobicContact CB-CD1 4.41Å; M134-L148 HydrophobicContact CB-CD2 4.08Å; M134-L148 HydrophobicContact CE-CD2 4.16Å; M134-L148 HydrophobicContact CE-CG 4.3Å; M134-A152 VanDerWaalsContact CE-CA 3.48Å; M134-A152 HydrophobicContact CE-CB 3.22Å; M134-I157 HydrophobicContact CE-CB 4.33Å; M134-I157 HydrophobicContact CE-CG2 4.17Å; M134-I157 HydrophobicContact CG-CG2 4.03Å; M134-P158 PolarHBondContact N-O 3.17Å; M134-F159 CarbonylContact O-C 3.57Å; M134-F159 WeakPolarHBondContact O-CA 3.4Å; M134-Y160 PolarHBondContact O-N 3.04Å; M134-I188 CarbonylContact C-O 3.58Å; M134-I188 WeakPolarHBondContact CA-O 3.18Å
135I96.7Very high91.7Very high0 Ų047.2 Ų47.20%025%0.249CC..EExtended strand (participates in β ladder)trans-121126175.5-61.6164.8000108Y160 I171 V176 F179 I187 I188 V189 D190I135-Y160 WeakPolarHBondContact CA-O 3.33Å; I135-Y160 HydrophobicContact CG2-CD1 4.25Å; I135-I171 HydrophobicContact CG2-CG2 4.26Å; I135-V176 HydrophobicContact CD1-CB 4.34Å; I135-V176 HydrophobicContact CD1-CG2 3.61Å; I135-V176 VanDerWaalsContact CD1-N 3.32Å; I135-F179 HydrophobicContact CD1-CD2 4.06Å; I135-F179 HydrophobicContact CD1-CE2 4.47Å; I135-F179 HydrophobicContact CG1-CD2 3.88Å; I135-F179 HydrophobicContact CG1-CE2 3.79Å; I135-I187 HydrophobicContact CD1-CG2 3.46Å; I135-I187 VanDerWaalsContact CD1-CG2 3.46Å; I135-I187 HydrophobicContact CG1-CG2 4.32Å; I135-I188 PolarHBondContact N-O 3.47Å; I135-V189 HydrophobicContact CB-CG2 4.29Å; I135-V189 HydrophobicContact CD1-CG2 4Å; I135-D190 PolarHBondContact O-N 3.42Å
136C95.5Very high91.7Very high5 Ų549.2 Ų49.23%0.03426%0.262CS..EExtended strand (participates in β ladder)trans-92.398.3174.7-170.90000109.9F145 L148 Y160 I171C136-F145 HydrophobicContact CB-CD2 3.64Å; C136-F145 HydrophobicContact CB-CE2 4.36Å; C136-F145 VanDerWaalsContact SG-CA 3.57Å; C136-L148 HydrophobicContact CB-CB 4.42Å; C136-L148 HydrophobicContact CB-CD1 3.87Å; C136-L148 HydrophobicContact CB-CD2 4.31Å; C136-L148 HydrophobicContact CB-CG 4.42Å; C136-Y160 PolarHBondContact N-O 3.2Å; C136-I171 VanDerWaalsContact O-CG2 3.31Å; C136-I171 WeakPolarHBondContact O-CG2 3.47Å
137A92.9Very high91.7Very high2 Ų248.9 Ų48.92%0.01726%0.26CS..EExtended strand (participates in β ladder)trans-99.917.2173.200000112.3T139 P168 A172 V189 D190A137-T139 PolarHBondContact O-N 3.43Å; A137-P168 HydrophobicContact CB-CB 4.3Å; A137-P168 VanDerWaalsContact O-CB 3.28Å; A137-P168 WeakPolarHBondContact O-CB 3.27Å; A137-A172 HydrophobicContact CB-CB 4.23Å; A137-V189 HydrophobicContact CB-CG1 3.96Å; A137-D190 CarbonylContact C-O 3.59Å; A137-D190 WeakPolarHBondContact CA-O 2.78Å; A137-D190 WeakPolarHBondContact CB-O 3.4Å; A137-D190 PolarHBondContact N-O 2.98Å
138D90.4Very high91.9Very high16 Ų1641 Ų419%0.08623%0.23CC..  trans-88.393.9169-172.2-8.4000110F140 R141 A144 D190 S192D138-F140 PolarHBondContact OD1-N 3.29Å; D138-R141 PolarHBondContact OD1-N 3.21Å; D138-R141 WeakPolarHBondContact OD2-CB 3.39Å; D138-A144 HydrophobicContact CB-CB 3.89Å; D138-D190 PolarHBondContact N-O 3.29Å; D138-S192 WeakPolarHBondContact OD1-CB 3.32Å
139T86.4Confident92.1Very high42 Ų4239.7 Ų39.726%0.25823%0.225SC..  trans-90.9-7.5178.158.10000113.2A137 T166 P168 I171A137-T139 PolarHBondContact O-N 3.43Å; T139-T166 VanDerWaalsContact CB-O 3.28Å; T139-T166 WeakPolarHBondContact CB-O 2.95Å; T139-T166 WeakPolarHBondContact CG2-O 3.41Å; T139-T166 PolarHBondContact OG1-O 3Å; T139-P168 HydrophobicContact CG2-CB 4.3Å; T139-I171 HydrophobicContact CG2-CD1 3.32Å
140F83.6Confident92.3Very high107 Ų10742.5 Ų42.547%0.46922%0.222SC..SBendtrans-94.4-37.4-174.3-79.5-64.3000114D138 A142 E204D138-F140 PolarHBondContact OD1-N 3.29Å; F140-A142 PolarHBondContact O-N 3.47Å; F140-E204 VanDerWaalsContact CE2-OE1 3.3Å; F140-E204 WeakPolarHBondContact CE2-OE1 3.44Å; F140-E204 WeakPolarHBondContact CE2-OE2 3.43Å
141R84.4Confident92.2Very high121 Ų12142.6 Ų42.646%0.45723%0.225SC..SBendtrans-83.2120.7-178.1178.1177.8179.2-142.3-9.4110.6D138 G143 A144 Q147D138-R141 PolarHBondContact OD1-N 3.21Å; D138-R141 WeakPolarHBondContact OD2-CB 3.39Å; R141-G143 PolarHBondContact O-N 3.37Å; R141-A144 HydrophobicContact CB-CB 4.03Å; R141-A144 HydrophobicContact CG-CB 4.32Å; R141-A144 VanDerWaalsContact O-CB 3.28Å; R141-A144 WeakPolarHBondContact O-CB 3.35Å; R141-A144 PolarHBondContact O-N 3.36Å; R141-Q147 VanDerWaalsContact CZ-OE1 3.28Å; R141-Q147 VanDerWaalsContact NH2-OE1 3.08Å
142A85.5Confident92.2Very high101 Ų10138.1 Ų38.184%0.83521%0.206SC*.THydrogen-bonded Turntrans-55.6126.3173.900000111.4F140 A144F140-A142 PolarHBondContact O-N 3.47Å; A142-A144 VanDerWaalsContact C-N 3.3Å; A142-A144 PolarHBondContact O-N 3.08Å
143G88Confident92.1Very high39 Ų3942.1 Ų42.140%0.40223%0.23SC..THydrogen-bonded Turntrans74.110.9-179.700000115.4R141 F145 D146 Q147R141-G143 PolarHBondContact O-N 3.37Å; G143-F145 VanDerWaalsContact C-N 3.34Å; G143-F145 PolarHBondContact O-N 3.34Å; G143-D146 PolarHBondContact O-N 3.22Å; G143-Q147 WeakPolarHBondContact O-CB 3.39Å; G143-Q147 PolarHBondContact O-N 3.29Å
144A90.2Very high91.8Very high1 Ų149.5 Ų49.51%0.00826%0.262CS..Hα-helixtrans-59.4-45.3175.600000111.8D138 R141 A142 D146 Q147 L148D138-A144 HydrophobicContact CB-CB 3.89Å; R141-A144 HydrophobicContact CB-CB 4.03Å; R141-A144 HydrophobicContact CG-CB 4.32Å; R141-A144 VanDerWaalsContact O-CB 3.28Å; R141-A144 WeakPolarHBondContact O-CB 3.35Å; R141-A144 PolarHBondContact O-N 3.36Å; A142-A144 VanDerWaalsContact C-N 3.3Å; A142-A144 PolarHBondContact O-N 3.08Å; A144-D146 PolarHBondContact O-N 3.37Å; A144-Q147 PolarHBondContact O-N 3.38Å; A144-L148 PolarHBondContact O-N 2.89Å
145F92.2Very high91.6Very high24 Ų2449.9 Ų49.911%0.10527%0.265CS..Hα-helixtrans-62.9-41.6176.6-176.2-132.1000112.4C136 G143 Q147 L148 K149 F159 Y163C136-F145 HydrophobicContact CB-CD2 3.64Å; C136-F145 HydrophobicContact CB-CE2 4.36Å; C136-F145 VanDerWaalsContact SG-CA 3.57Å; G143-F145 VanDerWaalsContact C-N 3.34Å; G143-F145 PolarHBondContact O-N 3.34Å; F145-Q147 PolarHBondContact O-N 3.12Å; F145-L148 PolarHBondContact O-N 3.08Å; F145-K149 WeakPolarHBondContact O-CB 3.3Å; F145-K149 PolarHBondContact O-N 3.33Å; F145-F159 AromaticContact CE2-CD2 3.93Å; F145-F159 HydrophobicContact CE2-CD2 3.93Å; F145-F159 HydrophobicContact CE2-CE2 4.34Å; F145-F159 HydrophobicContact CZ-CD2 4.11Å; F145-F159 HydrophobicContact CZ-CE2 4.09Å; F145-Y163 AromaticContact CD1-CD1 3.9Å; F145-Y163 HydrophobicContact CD1-CD1 3.9Å; F145-Y163 HydrophobicContact CD1-CD2 4.02Å; F145-Y163 AromaticContact CD1-CE1 3.57Å; F145-Y163 HydrophobicContact CD1-CE1 3.57Å; F145-Y163 AromaticContact CD1-CE2 3.7Å; F145-Y163 HydrophobicContact CD1-CE2 3.7Å; F145-Y163 HydrophobicContact CD1-CG 4.12Å; F145-Y163 AromaticContact CD1-CZ 3.45Å; F145-Y163 VanDerWaalsContact CD1-CZ 3.45Å; F145-Y163 AromaticContact CE1-CD2 3.8Å; F145-Y163 HydrophobicContact CE1-CD2 3.8Å; F145-Y163 HydrophobicContact CE1-CE1 4.16Å; F145-Y163 AromaticContact CE1-CE2 3.38Å; F145-Y163 HydrophobicContact CE1-CE2 3.38Å; F145-Y163 HydrophobicContact CE1-CG 4.34Å; F145-Y163 AromaticContact CE1-CZ 3.58Å
146D93.7Very high91.5Very high63 Ų6360.3 Ų60.334%0.33731%0.305SS..Hα-helixtrans-65.2-38176.1-64.7-64.1000112.3G143 A144 K149 Q150 Y163G143-D146 PolarHBondContact O-N 3.22Å; A144-D146 PolarHBondContact O-N 3.37Å; D146-K149 PolarHBondContact O-N 2.82Å; D146-Q150 WeakPolarHBondContact O-CB 3.4Å; D146-Q150 VanDerWaalsContact O-CG 3.24Å; D146-Q150 WeakPolarHBondContact O-CG 3.3Å; D146-Q150 PolarHBondContact O-N 3.4Å; D146-Y163 WeakPolarHBondContact OD1-CE1 3.43Å; D146-Y163 PolarHBondContact OD1-OH 3.42Å
147Q93.3Very high91.5Very high54 Ų5460.3 Ų60.325%0.25230%0.304SS..Hα-helixtrans-61.8-50174-176.9177.54.100111T115 R141 G143 A144 F145 Q150 N151T115-Q147 HydrophobicContact CG2-CG 4.23Å; R141-Q147 VanDerWaalsContact CZ-OE1 3.28Å; R141-Q147 VanDerWaalsContact NH2-OE1 3.08Å; G143-Q147 WeakPolarHBondContact O-CB 3.39Å; G143-Q147 PolarHBondContact O-N 3.29Å; A144-Q147 PolarHBondContact O-N 3.38Å; F145-Q147 PolarHBondContact O-N 3.12Å; Q147-Q150 PolarHBondContact O-N 3.05Å; Q147-N151 WeakPolarHBondContact O-CB 3.42Å; Q147-N151 VanDerWaalsContact O-CG 3.31Å; Q147-N151 PolarHBondContact O-N 3.19Å; Q147-N151 VanDerWaalsContact O-N 3.09Å
148L94.6Very high91.7Very high0 Ų062.8 Ų62.80%032%0.32CS..Hα-helixtrans-61.9-45.7178.3-173.4145.5000110.7T115 M134 C136 A144 F145 Q150 N151 A152 F159 D190T115-L148 HydrophobicContact CG2-CB 3.9Å; T115-L148 HydrophobicContact CG2-CD1 4.4Å; T115-L148 HydrophobicContact CG2-CG 4.47Å; M134-L148 HydrophobicContact CB-CD1 4.41Å; M134-L148 HydrophobicContact CB-CD2 4.08Å; M134-L148 HydrophobicContact CE-CD2 4.16Å; M134-L148 HydrophobicContact CE-CG 4.3Å; C136-L148 HydrophobicContact CB-CB 4.42Å; C136-L148 HydrophobicContact CB-CD1 3.87Å; C136-L148 HydrophobicContact CB-CD2 4.31Å; C136-L148 HydrophobicContact CB-CG 4.42Å; A144-L148 PolarHBondContact O-N 2.89Å; F145-L148 PolarHBondContact O-N 3.08Å; L148-Q150 PolarHBondContact O-N 2.87Å; L148-N151 PolarHBondContact O-N 2.7Å; L148-A152 WeakPolarHBondContact O-CB 3.41Å; L148-A152 PolarHBondContact O-N 2.8Å; L148-F159 HydrophobicContact CD2-CB 3.77Å; L148-D190 HydrophobicContact CD1-CB 3.87Å
149K94.6Very high91.9Very high75 Ų7565.1 Ų65.133%0.32633%0.33SS..Hα-helixtrans-57.8-45.1177.5173.8172.6179.6-174.60112.5F145 D146 T153 F159 Y163F145-K149 WeakPolarHBondContact O-CB 3.3Å; F145-K149 PolarHBondContact O-N 3.33Å; D146-K149 PolarHBondContact O-N 2.82Å; K149-T153 VanDerWaalsContact O-CB 3.3Å; K149-T153 WeakPolarHBondContact O-CB 3.34Å; K149-T153 PolarHBondContact O-N 3.15Å; K149-T153 PolarHBondContact O-OG1 2.83Å; K149-F159 HydrophobicContact CB-CD2 4.37Å; K149-F159 HydrophobicContact CB-CE2 4.09Å; K149-F159 HydrophobicContact CB-CZ 4.33Å; K149-F159 HydrophobicContact CD-CE2 3.94Å; K149-F159 HydrophobicContact CD-CZ 4.02Å; K149-F159 HydrophobicContact CG-CD2 4.44Å; K149-F159 HydrophobicContact CG-CE1 4.16Å; K149-F159 HydrophobicContact CG-CE2 3.72Å; K149-F159 HydrophobicContact CG-CZ 3.57Å; K149-Y163 PolarHBondContact NZ-OH 3.45Å
150Q94.9Very high92.4Very high115 Ų11565.7 Ų65.754%0.53733%0.327SS..Hα-helixtrans-63.4-44.4177.3-75.3176.637.600111.7D146 Q147 L148 T153 K154D146-Q150 WeakPolarHBondContact O-CB 3.4Å; D146-Q150 VanDerWaalsContact O-CG 3.24Å; D146-Q150 WeakPolarHBondContact O-CG 3.3Å; D146-Q150 PolarHBondContact O-N 3.4Å; Q147-Q150 PolarHBondContact O-N 3.05Å; L148-Q150 PolarHBondContact O-N 2.87Å; Q150-T153 PolarHBondContact O-N 2.85Å; Q150-K154 VanDerWaalsContact O-CG 3.29Å; Q150-K154 WeakPolarHBondContact O-CG 3.35Å; Q150-K154 PolarHBondContact O-N 3.42Å
151N94.1Very high92.8Very high31 Ų3161.5 Ų61.517%0.16631%0.314CS..Hα-helixtrans-65.7-45.6178.3-72.5-9.2000111.8T119 Q147 L148 T153 K154 A155T119-N151 HydrophobicContact CG2-CB 3.86Å; T119-N151 VanDerWaalsContact OG1-CB 3.28Å; T119-N151 WeakPolarHBondContact OG1-CB 3.41Å; Q147-N151 WeakPolarHBondContact O-CB 3.42Å; Q147-N151 VanDerWaalsContact O-CG 3.31Å; Q147-N151 PolarHBondContact O-N 3.19Å; Q147-N151 VanDerWaalsContact O-N 3.09Å; L148-N151 PolarHBondContact O-N 2.7Å; N151-T153 VanDerWaalsContact C-N 3.35Å; N151-T153 PolarHBondContact O-N 3.47Å; N151-K154 PolarHBondContact O-N 2.82Å; N151-A155 WeakPolarHBondContact O-CB 3.21Å; N151-A155 PolarHBondContact O-N 3.26Å
152A94.5Very high93Very high0 Ų057.5 Ų57.50%031%0.305CS..Hα-helixtrans-57.7-46.3175.500000111.7M134 L148 A155 R156 I157 F159M134-A152 VanDerWaalsContact CE-CA 3.48Å; M134-A152 HydrophobicContact CE-CB 3.22Å; L148-A152 WeakPolarHBondContact O-CB 3.41Å; L148-A152 PolarHBondContact O-N 2.8Å; A152-A155 CarbonylContact O-C 3.49Å; A152-A155 PolarHBondContact O-N 3.38Å; A152-R156 WeakPolarHBondContact O-CA 3.39Å; A152-R156 PolarHBondContact O-N 2.96Å; A152-I157 WeakPolarHBondContact CB-O 3.42Å; A152-I157 PolarHBondContact O-N 3.25Å; A152-F159 HydrophobicContact CB-CB 3.88Å; A152-F159 HydrophobicContact CB-CD1 3.55Å; A152-F159 HydrophobicContact CB-CE1 4.46Å; A152-F159 HydrophobicContact CB-CG 3.98Å
153T94.6Very high93.1Very high89 Ų8959.1 Ų59.155%0.54629%0.29SS..Hα-helixtrans-63-45.3178.9-57.40000111.2K149 Q150 N151 A155 R156K149-T153 VanDerWaalsContact O-CB 3.3Å; K149-T153 WeakPolarHBondContact O-CB 3.34Å; K149-T153 PolarHBondContact O-N 3.15Å; K149-T153 PolarHBondContact O-OG1 2.83Å; Q150-T153 PolarHBondContact O-N 2.85Å; N151-T153 VanDerWaalsContact C-N 3.35Å; N151-T153 PolarHBondContact O-N 3.47Å; T153-A155 VanDerWaalsContact C-N 3.29Å; T153-A155 PolarHBondContact O-N 3.22Å; T153-R156 PolarHBondContact O-N 3.31Å
154K91.9Very high93.1Very high155 Ų15563.3 Ų63.367%0.67431%0.308SS*.Hα-helixtrans-60-39.6176.7-74.2171.8-176.1172.70112.1Q150 N151Q150-K154 VanDerWaalsContact O-CG 3.29Å; Q150-K154 WeakPolarHBondContact O-CG 3.35Å; Q150-K154 PolarHBondContact O-N 3.42Å; N151-K154 PolarHBondContact O-N 2.82Å
155A92.4Very high93.1Very high8 Ų866.6 Ų66.67%0.06632%0.324CS..Hα-helixtrans-88.2-0.4179.400000114T119 Y123 Q126 N151 A152 T153 I157 V279T119-A155 HydrophobicContact CG2-CB 4.02Å; Y123-A155 HydrophobicContact CD2-CB 4.1Å; Q126-A155 PolarHBondContact OE1-O 3.08Å; N151-A155 WeakPolarHBondContact O-CB 3.21Å; N151-A155 PolarHBondContact O-N 3.26Å; A152-A155 CarbonylContact O-C 3.49Å; A152-A155 PolarHBondContact O-N 3.38Å; T153-A155 VanDerWaalsContact C-N 3.29Å; T153-A155 PolarHBondContact O-N 3.22Å; A155-I157 VanDerWaalsContact C-N 3.32Å; A155-I157 HydrophobicContact CB-CD1 3.5Å; A155-I157 HydrophobicContact CB-CG1 4.03Å; A155-I157 PolarHBondContact O-N 3.09Å; A155-V279 HydrophobicContact CB-CG1 4.34Å
156R93.9Very high92.8Very high218 Ų21870.7 Ų70.782%0.82335%0.351SS*.THydrogen-bonded Turntrans55.243.1-176.1-53.1-177.9-177.1-162.70.2113.3Q126 A152 T153Q126-R156 PolarHBondContact NE2-O 3.37Å; A152-R156 WeakPolarHBondContact O-CA 3.39Å; A152-R156 PolarHBondContact O-N 2.96Å; T153-R156 PolarHBondContact O-N 3.31Å
157I95.6Very high92.5Very high5 Ų570.8 Ų70.83%0.02635%0.351CS..  trans-106.9128.6178.7-62.4158.5000108.6T119 A122 M134 A152 A155T119-I157 HydrophobicContact CG2-CD1 4.45Å; A122-I157 HydrophobicContact CB-CD1 3.62Å; A122-I157 HydrophobicContact CB-CG1 4.44Å; A122-I157 HydrophobicContact CB-CG2 4.16Å; M134-I157 HydrophobicContact CE-CB 4.33Å; M134-I157 HydrophobicContact CE-CG2 4.17Å; M134-I157 HydrophobicContact CG-CG2 4.03Å; A152-I157 WeakPolarHBondContact CB-O 3.42Å; A152-I157 PolarHBondContact O-N 3.25Å; A155-I157 VanDerWaalsContact C-N 3.32Å; A155-I157 HydrophobicContact CB-CD1 3.5Å; A155-I157 HydrophobicContact CB-CG1 4.03Å; A155-I157 PolarHBondContact O-N 3.09Å
158P96.3Very high92.4Very high54 Ų5468.4 Ų68.435%0.35134%0.341SS..  trans-58.2139.1171.6-28.438.8000111.9T132 C133 M134 F179 F184T132-P158 WeakPolarHBondContact O-CD 3.25Å; C133-P158 VanDerWaalsContact CA-O 3.3Å; C133-P158 WeakPolarHBondContact CA-O 3.33Å; C133-P158 HydrophobicContact CB-CB 4.37Å; M134-P158 PolarHBondContact N-O 3.17Å; P158-F179 HydrophobicContact CB-CE1 4.15Å; P158-F179 HydrophobicContact CB-CZ 4.49Å; P158-F184 HydrophobicContact CB-CE1 4.02Å; P158-F184 HydrophobicContact CB-CZ 3.87Å; P158-F184 HydrophobicContact CG-CE1 3.76Å; P158-F184 HydrophobicContact CG-CZ 3.71Å
159F96.1Very high92.3Very high66 Ų6669.5 Ų69.529%0.28935%0.347SS..EExtended strand (participates in β ladder)trans-132.5152.6-17861.5-89.1000111.7M134 F145 L148 K149 A152M134-F159 CarbonylContact O-C 3.57Å; M134-F159 WeakPolarHBondContact O-CA 3.4Å; F145-F159 AromaticContact CE2-CD2 3.93Å; F145-F159 HydrophobicContact CE2-CD2 3.93Å; F145-F159 HydrophobicContact CE2-CE2 4.34Å; F145-F159 HydrophobicContact CZ-CD2 4.11Å; F145-F159 HydrophobicContact CZ-CE2 4.09Å; L148-F159 HydrophobicContact CD2-CB 3.77Å; K149-F159 HydrophobicContact CB-CD2 4.37Å; K149-F159 HydrophobicContact CB-CE2 4.09Å; K149-F159 HydrophobicContact CB-CZ 4.33Å; K149-F159 HydrophobicContact CD-CE2 3.94Å; K149-F159 HydrophobicContact CD-CZ 4.02Å; K149-F159 HydrophobicContact CG-CD2 4.44Å; K149-F159 HydrophobicContact CG-CE1 4.16Å; K149-F159 HydrophobicContact CG-CE2 3.72Å; K149-F159 HydrophobicContact CG-CZ 3.57Å; A152-F159 HydrophobicContact CB-CB 3.88Å; A152-F159 HydrophobicContact CB-CD1 3.55Å; A152-F159 HydrophobicContact CB-CE1 4.46Å; A152-F159 HydrophobicContact CB-CG 3.98Å
160Y95.6Very high92.3Very high53 Ų5367.5 Ų67.521%0.20834%0.341CS..EExtended strand (participates in β ladder)trans-130.6147.4173.2-176.1-90.5000110.1M134 I135 C136 I171 D174 K178 F179M134-Y160 PolarHBondContact O-N 3.04Å; I135-Y160 WeakPolarHBondContact CA-O 3.33Å; I135-Y160 HydrophobicContact CG2-CD1 4.25Å; C136-Y160 PolarHBondContact N-O 3.2Å; Y160-I171 HydrophobicContact CD1-CG2 4.25Å; Y160-I171 HydrophobicContact CE1-CG2 4.1Å; Y160-I171 WeakPolarHBondContact CE1-O 3.3Å; Y160-D174 HydrophobicContact CE1-CB 4.49Å; Y160-D174 WeakPolarHBondContact OH-CB 3.16Å; Y160-K178 HydrophobicContact CD2-CD 3.75Å; Y160-K178 HydrophobicContact CE2-CD 3.96Å; Y160-F179 VanDerWaalsContact CB-CE2 3.45Å
161G91.7Very high92.2Very high19 Ų1962.2 Ų62.220%0.19632%0.317CS..  trans170.6168.5176.800000109.4
162S89.6Confident92.2Very high37 Ų3760.7 Ų60.726%0.25931%0.309SS..  trans-127.6142.2-176.5-173.80000110.2T164 E165S162-T164 PolarHBondContact OG-N 2.96Å; S162-T164 PolarHBondContact OG-OG1 2.91Å; S162-E165 WeakPolarHBondContact OG-CB 3.5Å; S162-E165 PolarHBondContact OG-N 2.82Å
163Y87.4Confident92.2Very high135 Ų13566.4 Ų66.453%0.52933%0.33SS..SBendtrans-87.1-17.4170.4-70.4-77.4000112.2F145 D146 K149F145-Y163 AromaticContact CD1-CD1 3.9Å; F145-Y163 HydrophobicContact CD1-CD1 3.9Å; F145-Y163 HydrophobicContact CD1-CD2 4.02Å; F145-Y163 AromaticContact CD1-CE1 3.57Å; F145-Y163 HydrophobicContact CD1-CE1 3.57Å; F145-Y163 AromaticContact CD1-CE2 3.7Å; F145-Y163 HydrophobicContact CD1-CE2 3.7Å; F145-Y163 HydrophobicContact CD1-CG 4.12Å; F145-Y163 AromaticContact CD1-CZ 3.45Å; F145-Y163 VanDerWaalsContact CD1-CZ 3.45Å; F145-Y163 AromaticContact CE1-CD2 3.8Å; F145-Y163 HydrophobicContact CE1-CD2 3.8Å; F145-Y163 HydrophobicContact CE1-CE1 4.16Å; F145-Y163 AromaticContact CE1-CE2 3.38Å; F145-Y163 HydrophobicContact CE1-CE2 3.38Å; F145-Y163 HydrophobicContact CE1-CG 4.34Å; F145-Y163 AromaticContact CE1-CZ 3.58Å; D146-Y163 WeakPolarHBondContact OD1-CE1 3.43Å; D146-Y163 PolarHBondContact OD1-OH 3.42Å; K149-Y163 PolarHBondContact NZ-OH 3.45Å
164T88Confident92.3Very high127 Ų12764.8 Ų64.878%0.77932%0.318SS*.SBendtrans-111.5-28.8-171.154.60000113.2S162S162-T164 PolarHBondContact OG-N 2.96Å; S162-T164 PolarHBondContact OG-OG1 2.91Å
165E89.3Confident92.4Very high70 Ų7057.4 Ų57.433%0.32729%0.286SS..  trans-78.2130178.4-175.452.4-100.200109.4S162 D167 V170 I171S162-E165 WeakPolarHBondContact OG-CB 3.5Å; S162-E165 PolarHBondContact OG-N 2.82Å; E165-D167 PolarHBondContact OE1-N 2.91Å; E165-V170 HydrophobicContact CG-CB 4.15Å; E165-V170 HydrophobicContact CG-CG1 4.14Å; E165-I171 HydrophobicContact CB-CD1 3.95Å; E165-I171 HydrophobicContact CB-CG1 3.81Å; E165-I171 HydrophobicContact CG-CD1 3.96Å; E165-I171 HydrophobicContact CG-CG1 3.59Å
166T86.1Confident92.5Very high110 Ų11057.7 Ų57.768%0.67529%0.287SS*.  trans-101.3-19.7-178.952.30000112.1T139 P168T139-T166 VanDerWaalsContact CB-O 3.28Å; T139-T166 WeakPolarHBondContact CB-O 2.95Å; T139-T166 WeakPolarHBondContact CG2-O 3.41Å; T139-T166 PolarHBondContact OG1-O 3Å; T166-P168 WeakPolarHBondContact O-CD 3.41Å
167D88.7Confident92.6Very high65 Ų6552.4 Ų52.435%0.34827%0.271SS..  trans-83.8113.7179.1-171.6-13.2000111.2E165 V169 V170 I171E165-D167 PolarHBondContact OE1-N 2.91Å; D167-V169 PolarHBondContact O-N 3.47Å; D167-V169 VanDerWaalsContact OD1-CB 3.25Å; D167-V169 WeakPolarHBondContact OD1-CB 3.25Å; D167-V169 WeakPolarHBondContact OD1-CG2 3.44Å; D167-V169 PolarHBondContact OD1-N 2.91Å; D167-V170 HydrophobicContact CB-CB 4.26Å; D167-V170 HydrophobicContact CB-CG2 3.96Å; D167-V170 PolarHBondContact O-N 2.85Å; D167-I171 PolarHBondContact O-N 2.62Å
168P90.9Very high92.6Very high5 Ų556.2 Ų56.23%0.03229%0.288CS..Hα-helixtrans-66.4-24.7178.228.9-34.8000112.9A137 T139 T166 A172 E204 V208A137-P168 HydrophobicContact CB-CB 4.3Å; A137-P168 VanDerWaalsContact O-CB 3.28Å; A137-P168 WeakPolarHBondContact O-CB 3.27Å; T139-P168 HydrophobicContact CG2-CB 4.3Å; T166-P168 WeakPolarHBondContact O-CD 3.41Å; P168-A172 WeakPolarHBondContact O-CB 3.18Å; P168-A172 PolarHBondContact O-N 3.47Å; P168-E204 VanDerWaalsContact CG-CD 3.48Å; P168-E204 HydrophobicContact CG-CG 3.71Å; P168-E204 WeakPolarHBondContact CG-OE1 3.24Å; P168-V208 HydrophobicContact CB-CG2 4.14Å; P168-V208 HydrophobicContact CG-CG2 4.22Å
169V92.6Very high92.6Very high22 Ų2253.9 Ų53.913%0.13327%0.272CS..Hα-helixtrans-66.9-45.1178.7-175.30000110.1D167 A172 R173 Q207 V208 A211D167-V169 PolarHBondContact O-N 3.47Å; D167-V169 VanDerWaalsContact OD1-CB 3.25Å; D167-V169 WeakPolarHBondContact OD1-CB 3.25Å; D167-V169 WeakPolarHBondContact OD1-CG2 3.44Å; D167-V169 PolarHBondContact OD1-N 2.91Å; V169-A172 PolarHBondContact O-N 2.94Å; V169-R173 VanDerWaalsContact O-CB 3.31Å; V169-R173 WeakPolarHBondContact O-CB 3.48Å; V169-R173 PolarHBondContact O-N 3.4Å; V169-Q207 HydrophobicContact CG2-CB 3.89Å; V169-V208 HydrophobicContact CG2-CG2 3.82Å; V169-A211 HydrophobicContact CG1-CB 3.5Å; V169-A211 VanDerWaalsContact CG1-CB 3.5Å
170V93.6Very high92.4Very high33 Ų3353.9 Ų53.920%0.228%0.278CS..Hα-helixtrans-63.6-48.2177.5177.20000110.4E165 D167 A172 R173 D174E165-V170 HydrophobicContact CG-CB 4.15Å; E165-V170 HydrophobicContact CG-CG1 4.14Å; D167-V170 HydrophobicContact CB-CB 4.26Å; D167-V170 HydrophobicContact CB-CG2 3.96Å; D167-V170 PolarHBondContact O-N 2.85Å; V170-A172 VanDerWaalsContact C-N 3.34Å; V170-A172 PolarHBondContact O-N 2.92Å; V170-R173 PolarHBondContact O-N 2.82Å; V170-D174 VanDerWaalsContact O-CB 3.3Å; V170-D174 WeakPolarHBondContact O-CB 3.36Å; V170-D174 PolarHBondContact O-N 2.78Å
171I93.7Very high92.4Very high4 Ų457.6 Ų57.62%0.02130%0.297CS..Hα-helixtrans-61.4-43.4179.5-65.2162.6000111.6I135 C136 T139 Y160 E165 D167 G175I135-I171 HydrophobicContact CG2-CG2 4.26Å; C136-I171 VanDerWaalsContact O-CG2 3.31Å; C136-I171 WeakPolarHBondContact O-CG2 3.47Å; T139-I171 HydrophobicContact CG2-CD1 3.32Å; Y160-I171 HydrophobicContact CD1-CG2 4.25Å; Y160-I171 HydrophobicContact CE1-CG2 4.1Å; Y160-I171 WeakPolarHBondContact CE1-O 3.3Å; E165-I171 HydrophobicContact CB-CD1 3.95Å; E165-I171 HydrophobicContact CB-CG1 3.81Å; E165-I171 HydrophobicContact CG-CD1 3.96Å; E165-I171 HydrophobicContact CG-CG1 3.59Å; D167-I171 PolarHBondContact O-N 2.62Å; I171-G175 PolarHBondContact O-N 3.33Å
172A94.3Very high92.5Very high0 Ų060.8 Ų60.80%031%0.307CS..Hα-helixtrans-65.8-48.7-179.600000111.1A137 P168 V169 V170 G175 V176 V189 V208 I212A137-A172 HydrophobicContact CB-CB 4.23Å; P168-A172 WeakPolarHBondContact O-CB 3.18Å; P168-A172 PolarHBondContact O-N 3.47Å; V169-A172 PolarHBondContact O-N 2.94Å; V170-A172 VanDerWaalsContact C-N 3.34Å; V170-A172 PolarHBondContact O-N 2.92Å; A172-G175 PolarHBondContact O-N 3.29Å; A172-V176 WeakPolarHBondContact O-CB 3.23Å; A172-V176 VanDerWaalsContact O-CG2 3.25Å; A172-V176 WeakPolarHBondContact O-CG2 3.43Å; A172-V176 PolarHBondContact O-N 2.96Å; A172-V189 HydrophobicContact CB-CG1 4.29Å; A172-V208 HydrophobicContact CB-CG1 3.89Å; A172-I212 HydrophobicContact CB-CG2 3.65Å
173R95.1Very high92.7Very high120 Ų12067.1 Ų67.145%0.45333%0.329SS..Hα-helixtrans-61.2-52179.3-175.4-169.465.5-158.4-6.2111.9V169 V170 G175 V176 Q177V169-R173 VanDerWaalsContact O-CB 3.31Å; V169-R173 WeakPolarHBondContact O-CB 3.48Å; V169-R173 PolarHBondContact O-N 3.4Å; V170-R173 PolarHBondContact O-N 2.82Å; R173-G175 VanDerWaalsContact C-N 3.3Å; R173-G175 PolarHBondContact O-N 2.68Å; R173-V176 PolarHBondContact O-N 3.04Å; R173-Q177 WeakPolarHBondContact O-CB 3.36Å; R173-Q177 PolarHBondContact O-N 3.42Å
174D95.3Very high93Very high54 Ų5461 Ų6129%0.28931%0.306SS..Hα-helixtrans-67.4-35.5-176.2-655.2000110.8Y160 V170 K178Y160-D174 HydrophobicContact CE1-CB 4.49Å; Y160-D174 WeakPolarHBondContact OH-CB 3.16Å; V170-D174 VanDerWaalsContact O-CB 3.3Å; V170-D174 WeakPolarHBondContact O-CB 3.36Å; V170-D174 PolarHBondContact O-N 2.78Å; D174-K178 WeakPolarHBondContact O-CB 3.41Å; D174-K178 PolarHBondContact O-N 3.12Å
175G94.5Very high93.4Very high0 Ų056.7 Ų56.70%028%0.277CS..Hα-helixtrans-65.5-45.5173.800000113.2I171 A172 R173 K178 F179I171-G175 PolarHBondContact O-N 3.33Å; A172-G175 PolarHBondContact O-N 3.29Å; R173-G175 VanDerWaalsContact C-N 3.3Å; R173-G175 PolarHBondContact O-N 2.68Å; G175-K178 PolarHBondContact O-N 2.81Å; G175-F179 WeakPolarHBondContact O-CD2 3.34Å; G175-F179 PolarHBondContact O-N 2.79Å; G175-F179 VanDerWaalsContact O-N 3.15Å
176V95.3Very high93.7Very high15 Ų1553.3 Ų53.39%0.09126%0.261CS..Hα-helixtrans-63.3-48.9177.2169.60000109.4V103 I135 A172 R173 K178 F179 V180 I187 V189 I212V103-V176 HydrophobicContact CG1-CG2 4.12Å; V103-V176 HydrophobicContact CG2-CG1 3.91Å; I135-V176 HydrophobicContact CD1-CB 4.34Å; I135-V176 HydrophobicContact CD1-CG2 3.61Å; I135-V176 VanDerWaalsContact CD1-N 3.32Å; A172-V176 WeakPolarHBondContact O-CB 3.23Å; A172-V176 VanDerWaalsContact O-CG2 3.25Å; A172-V176 WeakPolarHBondContact O-CG2 3.43Å; A172-V176 PolarHBondContact O-N 2.96Å; R173-V176 PolarHBondContact O-N 3.04Å; V176-K178 VanDerWaalsContact C-N 3.35Å; V176-K178 PolarHBondContact O-N 2.92Å; V176-F179 PolarHBondContact O-N 3.48Å; V176-F179 VanDerWaalsContact O-N 3.16Å; V176-V180 HydrophobicContact CG1-CG2 4Å; V176-V180 WeakPolarHBondContact O-CB 3.48Å; V176-V180 VanDerWaalsContact O-CG2 3.23Å; V176-V180 WeakPolarHBondContact O-CG2 3.47Å; V176-V180 PolarHBondContact O-N 2.93Å; V176-I187 HydrophobicContact CG1-CD1 4.47Å; V176-I187 HydrophobicContact CG2-CG2 4.11Å; V176-V189 HydrophobicContact CG2-CG2 4.15Å; V176-I212 HydrophobicContact CG2-CB 4.13Å; V176-I212 HydrophobicContact CG2-CG2 3.93Å
177Q95.3Very high94.3Very high106 Ų10648.1 Ų48.150%0.49523%0.229SC..Hα-helixtrans-54.8-49.8178.4-178.2178.6-6.900111.7R173 F179 V180 E181R173-Q177 WeakPolarHBondContact O-CB 3.36Å; R173-Q177 PolarHBondContact O-N 3.42Å; Q177-F179 VanDerWaalsContact C-N 3.32Å; Q177-F179 PolarHBondContact O-N 2.89Å; Q177-V180 PolarHBondContact O-N 3.16Å; Q177-E181 WeakPolarHBondContact CG-OE1 3.48Å; Q177-E181 PolarHBondContact NE2-OE1 3.41Å; Q177-E181 WeakPolarHBondContact O-CG 3.48Å; Q177-E181 PolarHBondContact O-N 3.36Å
178K95.5Very high94.7Very high86 Ų8645 Ų4537%0.37421%0.212SC..Hα-helixtrans-55.8-45.9178.1-179.5-178.4178179.10112.3Y160 D174 G175 V176 E181 E182Y160-K178 HydrophobicContact CD2-CD 3.75Å; Y160-K178 HydrophobicContact CE2-CD 3.96Å; D174-K178 WeakPolarHBondContact O-CB 3.41Å; D174-K178 PolarHBondContact O-N 3.12Å; G175-K178 PolarHBondContact O-N 2.81Å; V176-K178 VanDerWaalsContact C-N 3.35Å; V176-K178 PolarHBondContact O-N 2.92Å; K178-E181 PolarHBondContact O-N 3.31Å; K178-E182 WeakPolarHBondContact CE-OE1 3.47Å; K178-E182 WeakPolarHBondContact O-CG 3.26Å; K178-E182 PolarHBondContact O-N 2.98Å
179F95.4Very high94.9Very high4 Ų444.8 Ų44.82%0.01821%0.211CC..Hα-helixtrans-77.9-27.1-176.8-71.7-51.4000113.8C133 I135 P158 Y160 G175 V176 Q177 E182 K183 F184 I187C133-F179 HydrophobicContact CB-CD1 3.79Å; C133-F179 HydrophobicContact CB-CD2 3.82Å; C133-F179 HydrophobicContact CB-CE1 3.7Å; C133-F179 HydrophobicContact CB-CE2 3.71Å; C133-F179 HydrophobicContact CB-CG 3.86Å; C133-F179 HydrophobicContact CB-CZ 3.67Å; C133-F179 VanDerWaalsContact SG-CB 3.6Å; C133-F179 WeakPolarHBondContact SG-CD2 3.3Å; C133-F179 WeakPolarHBondContact SG-CG 3.42Å; I135-F179 HydrophobicContact CD1-CD2 4.06Å; I135-F179 HydrophobicContact CD1-CE2 4.47Å; I135-F179 HydrophobicContact CG1-CD2 3.88Å; I135-F179 HydrophobicContact CG1-CE2 3.79Å; P158-F179 HydrophobicContact CB-CE1 4.15Å; P158-F179 HydrophobicContact CB-CZ 4.49Å; Y160-F179 VanDerWaalsContact CB-CE2 3.45Å; G175-F179 WeakPolarHBondContact O-CD2 3.34Å; G175-F179 PolarHBondContact O-N 2.79Å; G175-F179 VanDerWaalsContact O-N 3.15Å; V176-F179 PolarHBondContact O-N 3.48Å; V176-F179 VanDerWaalsContact O-N 3.16Å; Q177-F179 VanDerWaalsContact C-N 3.32Å; Q177-F179 PolarHBondContact O-N 2.89Å; F179-E182 CarbonylContact O-C 3.56Å; F179-E182 PolarHBondContact O-N 2.92Å; F179-K183 PolarHBondContact O-N 2.87Å; F179-F184 HydrophobicContact CB-CB 4.16Å; F179-F184 HydrophobicContact CB-CD2 4.13Å; F179-F184 HydrophobicContact CB-CG 4.27Å; F179-F184 AromaticContact CD1-CD2 3.66Å; F179-F184 HydrophobicContact CD1-CD2 3.66Å; F179-F184 AromaticContact CD1-CE2 3.68Å; F179-F184 HydrophobicContact CD1-CE2 3.68Å; F179-F184 HydrophobicContact CD1-CG 4.14Å; F179-F184 HydrophobicContact CD1-CZ 4.17Å; F179-F184 HydrophobicContact CE1-CE2 4.19Å; F179-F184 HydrophobicContact CE1-CZ 4.31Å; F179-F184 HydrophobicContact CG-CD2 4.31Å; F179-F184 WeakPolarHBondContact O-CB 3.47Å; F179-F184 PolarHBondContact O-N 2.9Å; F179-I187 HydrophobicContact CB-CD1 3.89Å; F179-I187 HydrophobicContact CB-CG1 4.19Å; F179-I187 HydrophobicContact CD2-CG2 4.47Å
180V93.4Very high95Very high67 Ų6743.7 Ų43.741%0.40620%0.204SC..Hα-helixtrans-63-46.4167.9171.50000109.9V176 Q177 E182 K183 I187V176-V180 HydrophobicContact CG1-CG2 4Å; V176-V180 WeakPolarHBondContact O-CB 3.48Å; V176-V180 VanDerWaalsContact O-CG2 3.23Å; V176-V180 WeakPolarHBondContact O-CG2 3.47Å; V176-V180 PolarHBondContact O-N 2.93Å; Q177-V180 PolarHBondContact O-N 3.16Å; V180-E182 VanDerWaalsContact C-N 3.33Å; V180-E182 PolarHBondContact O-N 3.15Å; V180-K183 WeakPolarHBondContact O-CA 3.03Å; V180-K183 PolarHBondContact O-N 3.42Å; V180-I187 HydrophobicContact CG2-CD1 3.74Å
181E94.3Very high94.9Very high130 Ų13042.4 Ų42.461%0.60720%0.197SC*.Hα-helixtrans-61.4-39.7176.2-71.3172.4-169.300112.2Q177 K178 K183Q177-E181 WeakPolarHBondContact CG-OE1 3.48Å; Q177-E181 PolarHBondContact NE2-OE1 3.41Å; Q177-E181 WeakPolarHBondContact O-CG 3.48Å; Q177-E181 PolarHBondContact O-N 3.36Å; K178-E181 PolarHBondContact O-N 3.31Å; E181-K183 PolarHBondContact O-N 3.02Å
182E94.3Very high94.5Very high86 Ų8642.5 Ų42.540%0.40220%0.197SC..THydrogen-bonded Turntrans-76.76174.5-67.7-178.8-15900113.8K131 K178 F179 V180 F184K131-E182 PolarHBondContact NZ-O 3.5Å; K178-E182 WeakPolarHBondContact CE-OE1 3.47Å; K178-E182 WeakPolarHBondContact O-CG 3.26Å; K178-E182 PolarHBondContact O-N 2.98Å; F179-E182 CarbonylContact O-C 3.56Å; F179-E182 PolarHBondContact O-N 2.92Å; V180-E182 VanDerWaalsContact C-N 3.33Å; V180-E182 PolarHBondContact O-N 3.15Å; E182-F184 HydrophobicContact CB-CD2 3.67Å; E182-F184 HydrophobicContact CB-CE2 3.61Å; E182-F184 PolarHBondContact O-N 2.96Å; E182-F184 VanDerWaalsContact OE2-CE2 3.29Å; E182-F184 WeakPolarHBondContact OE2-CE2 3.27Å
183K93Very high93.6Very high170 Ų17042.9 Ų42.974%0.73920%0.202SC*.THydrogen-bonded Turntrans58.142177.5-54.2-177.6-179.4-178.30113.8F179 V180 E181F179-K183 PolarHBondContact O-N 2.87Å; V180-K183 WeakPolarHBondContact O-CA 3.03Å; V180-K183 PolarHBondContact O-N 3.42Å; E181-K183 PolarHBondContact O-N 3.02Å
184F95Very high92.4Very high8 Ų839.9 Ų39.94%0.03519%0.19CC..  trans-74.2141.7168.9-77.8-102.9000110.6S101 K131 T132 C133 P158 F179 E182 I187S101-F184 WeakPolarHBondContact CA-O 3.42Å; S101-F184 WeakPolarHBondContact CB-O 3.4Å; S101-F184 PolarHBondContact OG-O 3.33Å; K131-F184 HydrophobicContact CB-CD1 4.38Å; K131-F184 HydrophobicContact CD-CD1 4.14Å; K131-F184 HydrophobicContact CD-CD2 4.3Å; K131-F184 HydrophobicContact CD-CE1 4.24Å; K131-F184 HydrophobicContact CD-CE2 4.4Å; K131-F184 HydrophobicContact CD-CG 4.17Å; K131-F184 HydrophobicContact CD-CZ 4.39Å; K131-F184 VanDerWaalsContact CE-CE2 3.5Å; K131-F184 VanDerWaalsContact CE-CZ 3.49Å; K131-F184 HydrophobicContact CG-CD1 3.63Å; K131-F184 HydrophobicContact CG-CE1 3.75Å; K131-F184 HydrophobicContact CG-CG 4.13Å; K131-F184 HydrophobicContact CG-CZ 4.34Å; T132-F184 WeakPolarHBondContact O-CE1 3.2Å; C133-F184 HydrophobicContact CB-CD1 3.56Å; C133-F184 HydrophobicContact CB-CE1 3.76Å; C133-F184 HydrophobicContact CB-CG 4.15Å; C133-F184 HydrophobicContact CB-CZ 4.48Å; P158-F184 HydrophobicContact CB-CE1 4.02Å; P158-F184 HydrophobicContact CB-CZ 3.87Å; P158-F184 HydrophobicContact CG-CE1 3.76Å; P158-F184 HydrophobicContact CG-CZ 3.71Å; F179-F184 HydrophobicContact CB-CB 4.16Å; F179-F184 HydrophobicContact CB-CD2 4.13Å; F179-F184 HydrophobicContact CB-CG 4.27Å; F179-F184 AromaticContact CD1-CD2 3.66Å; F179-F184 HydrophobicContact CD1-CD2 3.66Å; F179-F184 AromaticContact CD1-CE2 3.68Å; F179-F184 HydrophobicContact CD1-CE2 3.68Å; F179-F184 HydrophobicContact CD1-CG 4.14Å; F179-F184 HydrophobicContact CD1-CZ 4.17Å; F179-F184 HydrophobicContact CE1-CE2 4.19Å; F179-F184 HydrophobicContact CE1-CZ 4.31Å; F179-F184 HydrophobicContact CG-CD2 4.31Å; F179-F184 WeakPolarHBondContact O-CB 3.47Å; F179-F184 PolarHBondContact O-N 2.9Å; E182-F184 HydrophobicContact CB-CD2 3.67Å; E182-F184 HydrophobicContact CB-CE2 3.61Å; E182-F184 PolarHBondContact O-N 2.96Å; E182-F184 VanDerWaalsContact OE2-CE2 3.29Å; E182-F184 WeakPolarHBondContact OE2-CE2 3.27Å; F184-I187 HydrophobicContact CB-CG1 4.26Å
185E95.5Very high90.9Very high35 Ų3542.4 Ų42.416%0.16420%0.2CC..SBendtrans-93.4-30.2-178.1-61.3-175.9114.700112.1R98 G99 S100 N102 W130 K131R98-E185 WeakPolarHBondContact CD-OE1 2.93Å; R98-E185 IonicContact NH1-OE1 3.07Å; R98-E185 IonicContact NH1-OE2 3.36Å; R98-E185 PolarHBondContact NH1-OE2 3.06Å; G99-E185 PolarHBondContact N-OE1 2.84Å; G99-E185 VanDerWaalsContact N-OE1 3.14Å; S100-E185 WeakPolarHBondContact O-CA 3.49Å; N102-E185 WeakPolarHBondContact CB-O 3.41Å; N102-E185 PolarHBondContact N-O 2.98Å; N102-E185 PolarHBondContact ND2-O 2.87Å; W130-E185 HydrophobicContact CE3-CB 3.69Å; W130-E185 HydrophobicContact CE3-CG 4.38Å; W130-E185 HydrophobicContact CZ3-CB 4.19Å; K131-E185 PolarHBondContact N-OE2 3.12Å; K131-E185 PolarHBondContact O-N 3.4Å
186I97Very high89.1Confident0 Ų047.5 Ų47.50%022%0.22CC..EExtended strand (participates in β ladder)trans-126.8113-179.6-55.7-66.7000108.4P96 N102 I104 Y125 W130 K131 T132 C133 I188P96-I186 HydrophobicContact CB-CD1 3.57Å; P96-I186 HydrophobicContact CG-CD1 4.13Å; N102-I186 HydrophobicContact CB-CD1 4.16Å; I104-I186 HydrophobicContact CD1-CG2 3.99Å; Y125-I186 HydrophobicContact CD2-CG2 4.12Å; Y125-I186 HydrophobicContact CG-CG1 4.33Å; W130-I186 HydrophobicContact CB-CG1 3.91Å; W130-I186 HydrophobicContact CD2-CD1 4.19Å; W130-I186 HydrophobicContact CD2-CG1 4.06Å; W130-I186 HydrophobicContact CE3-CD1 3.78Å; W130-I186 HydrophobicContact CE3-CG1 3.82Å; W130-I186 HydrophobicContact CG-CG1 4.15Å; W130-I186 HydrophobicContact CZ3-CD1 4.16Å; K131-I186 PolarHBondContact O-N 2.94Å; K131-I186 VanDerWaalsContact O-N 3.12Å; T132-I186 CarbonylContact C-O 3.47Å; T132-I186 WeakPolarHBondContact CA-O 3.32Å; T132-I186 HydrophobicContact CG2-CB 3.97Å; T132-I186 HydrophobicContact CG2-CG1 4.3Å; T132-I186 HydrophobicContact CG2-CG2 4.39Å; C133-I186 PolarHBondContact N-O 2.92Å; I186-I188 HydrophobicContact CG2-CD1 3.92Å; I186-I188 HydrophobicContact CG2-CG1 3.97Å
187I97.4Very high87.4Confident0 Ų055 Ų550%025%0.253CS..EExtended strand (participates in β ladder)trans-113.7111.1-178.6-52.5179.1000108N102 V103 I104 I135 V176 F179 V180 F184N102-I187 PolarHBondContact O-N 3.45Å; V103-I187 HydrophobicContact CG2-CB 4.46Å; V103-I187 HydrophobicContact CG2-CD1 4.36Å; I104-I187 PolarHBondContact N-O 2.87Å; I135-I187 HydrophobicContact CD1-CG2 3.46Å; I135-I187 VanDerWaalsContact CD1-CG2 3.46Å; I135-I187 HydrophobicContact CG1-CG2 4.32Å; V176-I187 HydrophobicContact CG1-CD1 4.47Å; V176-I187 HydrophobicContact CG2-CG2 4.11Å; F179-I187 HydrophobicContact CB-CD1 3.89Å; F179-I187 HydrophobicContact CB-CG1 4.19Å; F179-I187 HydrophobicContact CD2-CG2 4.47Å; V180-I187 HydrophobicContact CG2-CD1 3.74Å; F184-I187 HydrophobicContact CB-CG1 4.26Å
188I97.3Very high86Confident0 Ų053.2 Ų53.20%025%0.245CC..EExtended strand (participates in β ladder)trans-104.8120-176.8-66.1155.8000110.2I104 L106 A118 L121 A122 C133 M134 I135 I186I104-I188 HydrophobicContact CB-CG1 4.21Å; I104-I188 HydrophobicContact CD1-CG1 4.42Å; I104-I188 CarbonylContact O-C 3.54Å; I104-I188 WeakPolarHBondContact O-CA 3.43Å; L106-I188 HydrophobicContact CD1-CG2 3.92Å; L106-I188 HydrophobicContact CG-CG2 4.06Å; A118-I188 HydrophobicContact CB-CG2 3.85Å; L121-I188 HydrophobicContact CB-CD1 4.09Å; L121-I188 HydrophobicContact CD2-CD1 4.02Å; L121-I188 HydrophobicContact CD2-CG1 4.25Å; L121-I188 HydrophobicContact CG-CD1 3.95Å; A122-I188 HydrophobicContact CB-CD1 3.59Å; C133-I188 PolarHBondContact O-N 3.2Å; M134-I188 CarbonylContact C-O 3.58Å; M134-I188 WeakPolarHBondContact CA-O 3.18Å; I135-I188 PolarHBondContact N-O 3.47Å; I186-I188 HydrophobicContact CG2-CD1 3.92Å; I186-I188 HydrophobicContact CG2-CG1 3.97Å
189V96.4Very high85Confident0 Ų054.4 Ų54.40%026%0.255CS..EExtended strand (participates in β ladder)trans-100.2114.5178.5-175.70000109.8V103 I104 L106 I135 A137 A172 V176 T191 I212V103-V189 HydrophobicContact CG1-CG2 4.42Å; I104-V189 PolarHBondContact O-N 3.44Å; L106-V189 PolarHBondContact N-O 3.24Å; I135-V189 HydrophobicContact CB-CG2 4.29Å; I135-V189 HydrophobicContact CD1-CG2 4Å; A137-V189 HydrophobicContact CB-CG1 3.96Å; A172-V189 HydrophobicContact CB-CG1 4.29Å; V176-V189 HydrophobicContact CG2-CG2 4.15Å; V189-T191 HydrophobicContact CG1-CG2 4.25Å; V189-I212 HydrophobicContact CB-CD1 4.21Å; V189-I212 HydrophobicContact CG1-CD1 4.27Å; V189-I212 HydrophobicContact CG2-CD1 3.81Å
190D94.5Very high84.1Confident0 Ų057.8 Ų57.80%028%0.28CS..EExtended strand (participates in β ladder)trans-90112.9173.7-172.537000109.5K114 T115 A118 I135 A137 D138 L148K114-D190 VanDerWaalsContact CB-OD1 3.24Å; K114-D190 WeakPolarHBondContact CB-OD1 3.45Å; T115-D190 WeakPolarHBondContact CA-OD2 3.5Å; T115-D190 WeakPolarHBondContact CB-OD2 3.46Å; T115-D190 WeakPolarHBondContact CG2-OD2 3.34Å; T115-D190 PolarHBondContact N-OD1 2.79Å; T115-D190 PolarHBondContact OG1-OD2 3.48Å; A118-D190 HydrophobicContact CB-CB 4.37Å; I135-D190 PolarHBondContact O-N 3.42Å; A137-D190 CarbonylContact C-O 3.59Å; A137-D190 WeakPolarHBondContact CA-O 2.78Å; A137-D190 WeakPolarHBondContact CB-O 3.4Å; A137-D190 PolarHBondContact N-O 2.98Å; D138-D190 PolarHBondContact N-O 3.29Å; L148-D190 HydrophobicContact CD1-CB 3.87Å
191T91.5Very high83.1Confident6 Ų654.8 Ų54.84%0.03726%0.261CS..EExtended strand (participates in β ladder)trans-96.2165.8179.466.30000112.2M105 L106 K114 V189M105-T191 HydrophobicContact CE-CG2 3.86Å; M105-T191 HydrophobicContact CG-CG2 4.08Å; L106-T191 PolarHBondContact O-OG1 3.34Å; K114-T191 WeakPolarHBondContact CE-O 3.24Å; V189-T191 HydrophobicContact CG1-CG2 4.25Å
192S84.6Confident82.4Confident5 Ų549 Ų494%0.03523%0.234CC..  trans-62.8153.7174.4750000111.6K114 D138 L201K114-S192 WeakPolarHBondContact CE-O 3.2Å; D138-S192 WeakPolarHBondContact OD1-CB 3.32Å; S192-L201 WeakPolarHBondContact OG-CD1 3.43Å
193G75.9Confident81.9Confident9 Ų950.7 Ų50.79%0.09324%0.242CC..  trans-112.3123.8171.500000111.4G108 Q110G108-G193 WeakPolarHBondContact O-CA 3.28Å; Q110-G193 VanDerWaalsContact CB-O 3.24Å; Q110-G193 WeakPolarHBondContact CB-O 3.42Å; Q110-G193 WeakPolarHBondContact CG-O 3.46Å
194R68.8Low81.4Confident57 Ų5744.1 Ų44.122%0.21521%0.214CC..  trans-137.2173.9168.8-43-177174.5-140-2.6112.5L109 E198 L201L109-R194 VanDerWaalsContact CD2-O 3.27Å; L109-R194 WeakPolarHBondContact CD2-O 3.31Å; R194-E198 WeakPolarHBondContact CD-OE2 3.46Å; R194-E198 IonicContact CZ-OE2 3.25Å; R194-E198 IonicContact NE-OE2 3.61Å; R194-E198 IonicContact NH1-OE1 3.21Å; R194-E198 PolarHBondContact NH1-OE1 3.28Å; R194-E198 IonicContact NH1-OE2 2.64Å; R194-E198 PolarHBondContact NH1-OE2 2.85Å; R194-L201 HydrophobicContact CB-CD1 4.48Å; R194-L201 HydrophobicContact CB-CD2 3.36Å; R194-L201 HydrophobicContact CB-CG 4.27Å; R194-L201 HydrophobicContact CG-CD1 3.86Å; R194-L201 HydrophobicContact CG-CD2 3.66Å; R194-L201 HydrophobicContact CG-CG 4.2Å
195H65Low80.9Confident107 Ų10743.9 Ų43.950%0.49521%0.213SC..  trans-82.4150.4-175.8-153.6-88.5000111Q197 E198H195-Q197 PolarHBondContact O-N 2.99Å; H195-E198 PolarHBondContact O-N 3.42Å
196R56.4Low80.6Confident107 Ų10745.6 Ų45.640%0.40422%0.223SC..THydrogen-bonded Turntrans-52.1-19.2-177.3-179.1176.1173.2168.72.5116.1E198 F202 A231 Q232 A235R196-E198 PolarHBondContact O-N 3.02Å; R196-F202 HydrophobicContact CG-CE2 4.33Å; R196-A231 PolarHBondContact NH1-O 3.23Å; R196-Q232 VanDerWaalsContact CB-OE1 3.29Å; R196-A235 HydrophobicContact CG-CB 4.13Å
197Q59.6Low80.2Confident172 Ų17250.8 Ų50.880%0.80425%0.247SC*.THydrogen-bonded Turntrans-75.4-2-174-71.1177.4-7.200113.5H195H195-Q197 PolarHBondContact O-N 2.99Å
198E65.5Low79.9Confident69 Ų6951 Ų5132%0.32225%0.248SC..  trans-10893.7177.9-67-175.2-167.900111.1R194 H195 R196 S200 L201R194-E198 WeakPolarHBondContact CD-OE2 3.46Å; R194-E198 IonicContact CZ-OE2 3.25Å; R194-E198 IonicContact NE-OE2 3.61Å; R194-E198 IonicContact NH1-OE1 3.21Å; R194-E198 PolarHBondContact NH1-OE1 3.28Å; R194-E198 IonicContact NH1-OE2 2.64Å; R194-E198 PolarHBondContact NH1-OE2 2.85Å; H195-E198 PolarHBondContact O-N 3.42Å; R196-E198 PolarHBondContact O-N 3.02Å; E198-S200 PolarHBondContact O-N 3.49Å; E198-L201 HydrophobicContact CB-CB 4.19Å; E198-L201 PolarHBondContact O-N 2.56Å; E198-L201 VanDerWaalsContact O-N 3.07Å
199D75.3Confident79.7Confident110 Ų11051.8 Ų51.859%0.58825%0.254SS*.Hα-helixtrans-54.3-33.8170.4-74.6-37.1000111.6L201 F202 E203D199-L201 VanDerWaalsContact C-N 3.29Å; D199-L201 PolarHBondContact O-N 3.24Å; D199-F202 PolarHBondContact O-N 3.18Å; D199-F202 VanDerWaalsContact O-N 3.14Å; D199-E203 PolarHBondContact O-N 2.86Å; D199-E203 VanDerWaalsContact O-N 3.08Å
200S76.2Confident79.5Confident75 Ų7556.9 Ų56.952%0.52428%0.281SS..Hα-helixtrans-59.5-34.7176.355.80000113.5E198 E204E198-S200 PolarHBondContact O-N 3.49Å; S200-E204 PolarHBondContact O-N 2.79Å; S200-E204 VanDerWaalsContact O-N 3.08Å
201L71.6Confident79.4Confident4 Ų458.8 Ų58.82%0.02130%0.297CS..Hα-helixtrans-71.1-40.9176.3-178.973.5000110.7S192 R194 E198 D199 E203 E204 M205S192-L201 WeakPolarHBondContact OG-CD1 3.43Å; R194-L201 HydrophobicContact CB-CD1 4.48Å; R194-L201 HydrophobicContact CB-CD2 3.36Å; R194-L201 HydrophobicContact CB-CG 4.27Å; R194-L201 HydrophobicContact CG-CD1 3.86Å; R194-L201 HydrophobicContact CG-CD2 3.66Å; R194-L201 HydrophobicContact CG-CG 4.2Å; E198-L201 HydrophobicContact CB-CB 4.19Å; E198-L201 PolarHBondContact O-N 2.56Å; E198-L201 VanDerWaalsContact O-N 3.07Å; D199-L201 VanDerWaalsContact C-N 3.29Å; D199-L201 PolarHBondContact O-N 3.24Å; L201-E203 PolarHBondContact O-N 3.21Å; L201-E204 WeakPolarHBondContact CD1-OE2 3.24Å; L201-E204 PolarHBondContact O-N 2.87Å; L201-M205 HydrophobicContact CD2-SD 4.48Å; L201-M205 HydrophobicContact CG-CG 4.31Å; L201-M205 WeakPolarHBondContact O-CG 3.5Å; L201-M205 PolarHBondContact O-N 2.93Å
202F79.2Confident79.5Confident8 Ų859.1 Ų59.14%0.03530%0.299CS..Hα-helixtrans-62.8-36.6178.4-77.5-72.6000111.6R196 D199 M205 L206 A235 F236 K239R196-F202 HydrophobicContact CG-CE2 4.33Å; D199-F202 PolarHBondContact O-N 3.18Å; D199-F202 VanDerWaalsContact O-N 3.14Å; F202-M205 HydrophobicContact CD1-CE 3.4Å; F202-M205 HydrophobicContact CE1-CE 3.75Å; F202-M205 HydrophobicContact CG-CE 4.3Å; F202-L206 VanDerWaalsContact O-CB 3.29Å; F202-L206 WeakPolarHBondContact O-CB 3.24Å; F202-L206 PolarHBondContact O-N 3.32Å; F202-A235 HydrophobicContact CZ-CB 4.23Å; F202-F236 AromaticContact CE1-CD1 3.89Å; F202-F236 HydrophobicContact CE1-CD1 3.89Å; F202-F236 HydrophobicContact CE1-CD2 4.3Å; F202-F236 HydrophobicContact CE1-CE1 4.02Å; F202-F236 HydrophobicContact CE1-CE2 4.4Å; F202-F236 HydrophobicContact CE1-CG 4.04Å; F202-F236 HydrophobicContact CE1-CZ 4.26Å; F202-F236 HydrophobicContact CZ-CD2 4.34Å; F202-F236 HydrophobicContact CZ-CE2 4.23Å; F202-F236 HydrophobicContact CZ-CZ 4.32Å; F202-K239 HydrophobicContact CB-CB 4.4Å; F202-K239 HydrophobicContact CB-CD 4.3Å; F202-K239 HydrophobicContact CB-CG 4.12Å; F202-K239 HydrophobicContact CD1-CB 3.65Å; F202-K239 HydrophobicContact CD1-CG 3.69Å; F202-K239 HydrophobicContact CE1-CB 4.3Å; F202-K239 HydrophobicContact CE1-CG 4.3Å; F202-K239 HydrophobicContact CG-CB 4.3Å; F202-K239 HydrophobicContact CG-CG 3.96Å
203E84Confident79.8Confident122 Ų12266.5 Ų66.557%0.5733%0.332SS*.Hα-helixtrans-63.2-46.4171.7-71.8178.4-174.400111.9D199 L201 L206 Q207D199-E203 PolarHBondContact O-N 2.86Å; D199-E203 VanDerWaalsContact O-N 3.08Å; L201-E203 PolarHBondContact O-N 3.21Å; E203-L206 WeakPolarHBondContact O-CB 3.41Å; E203-L206 PolarHBondContact O-N 2.62Å; E203-Q207 VanDerWaalsContact O-CG 3.3Å; E203-Q207 WeakPolarHBondContact O-CG 3.31Å; E203-Q207 PolarHBondContact O-N 2.79Å
204E82.7Confident80.7Confident32 Ų3267.2 Ų67.215%0.1534%0.335CS..Hα-helixtrans-60.3-46.7176.3-178-177.2-115.900112.1F140 P168 S200 L201 L206 Q207 V208F140-E204 VanDerWaalsContact CE2-OE1 3.3Å; F140-E204 WeakPolarHBondContact CE2-OE1 3.44Å; F140-E204 WeakPolarHBondContact CE2-OE2 3.43Å; P168-E204 VanDerWaalsContact CG-CD 3.48Å; P168-E204 HydrophobicContact CG-CG 3.71Å; P168-E204 WeakPolarHBondContact CG-OE1 3.24Å; S200-E204 PolarHBondContact O-N 2.79Å; S200-E204 VanDerWaalsContact O-N 3.08Å; L201-E204 WeakPolarHBondContact CD1-OE2 3.24Å; L201-E204 PolarHBondContact O-N 2.87Å; E204-L206 VanDerWaalsContact C-N 3.28Å; E204-L206 PolarHBondContact O-N 2.98Å; E204-Q207 WeakPolarHBondContact O-CB 3.28Å; E204-Q207 PolarHBondContact O-N 2.92Å; E204-Q207 VanDerWaalsContact O-N 3.16Å; E204-V208 WeakPolarHBondContact O-CG2 3.34Å; E204-V208 PolarHBondContact O-N 2.82Å
205M85.3Confident81.9Confident3 Ų368.5 Ų68.52%0.01535%0.347CS..Hα-helixtrans-62.1-37.7176.6-70.2-168.1-39.800112.1M105 V107 L201 F202 V208 S209 F236 V240M105-M205 HydrophobicContact CE-CB 4.32Å; V107-M205 HydrophobicContact CB-SD 4.37Å; V107-M205 HydrophobicContact CG1-SD 4.18Å; L201-M205 HydrophobicContact CD2-SD 4.48Å; L201-M205 HydrophobicContact CG-CG 4.31Å; L201-M205 WeakPolarHBondContact O-CG 3.5Å; L201-M205 PolarHBondContact O-N 2.93Å; F202-M205 HydrophobicContact CD1-CE 3.4Å; F202-M205 HydrophobicContact CE1-CE 3.75Å; F202-M205 HydrophobicContact CG-CE 4.3Å; M205-V208 PolarHBondContact O-N 3.36Å; M205-S209 VanDerWaalsContact O-CB 3.32Å; M205-S209 WeakPolarHBondContact O-CB 2.9Å; M205-S209 PolarHBondContact O-N 2.81Å; M205-F236 HydrophobicContact CE-CD1 3.78Å; M205-F236 HydrophobicContact CE-CE1 3.53Å; M205-F236 HydrophobicContact SD-CD1 4.45Å; M205-F236 HydrophobicContact SD-CE1 3.8Å; M205-V240 HydrophobicContact CB-CG2 4.45Å; M205-V240 HydrophobicContact CE-CG2 4.11Å
206L87.9Confident83.2Confident71 Ų7163.7 Ų63.737%0.37232%0.324SS..Hα-helixtrans-66.1-41175.6-177.864.3000110.7F202 E203 E204 S209 N210F202-L206 VanDerWaalsContact O-CB 3.29Å; F202-L206 WeakPolarHBondContact O-CB 3.24Å; F202-L206 PolarHBondContact O-N 3.32Å; E203-L206 WeakPolarHBondContact O-CB 3.41Å; E203-L206 PolarHBondContact O-N 2.62Å; E204-L206 VanDerWaalsContact C-N 3.28Å; E204-L206 PolarHBondContact O-N 2.98Å; L206-S209 PolarHBondContact O-N 3.38Å; L206-N210 WeakPolarHBondContact O-CB 3.26Å; L206-N210 PolarHBondContact O-N 3.47Å; L206-N210 PolarHBondContact O-ND2 3.47Å
207Q89.7Confident85Confident110 Ų11058.9 Ų58.951%0.51431%0.307SS..Hα-helixtrans-61.9-45.2174.1-71.5173.2-0.800111.7V169 E203 E204 N210 A211V169-Q207 HydrophobicContact CG2-CB 3.89Å; E203-Q207 VanDerWaalsContact O-CG 3.3Å; E203-Q207 WeakPolarHBondContact O-CG 3.31Å; E203-Q207 PolarHBondContact O-N 2.79Å; E204-Q207 WeakPolarHBondContact O-CB 3.28Å; E204-Q207 PolarHBondContact O-N 2.92Å; E204-Q207 VanDerWaalsContact O-N 3.16Å; Q207-N210 PolarHBondContact O-N 2.9Å; Q207-A211 WeakPolarHBondContact O-CB 3.44Å; Q207-A211 PolarHBondContact O-N 2.85Å
208V90.9Very high86.6Confident4 Ų450.9 Ų50.92%0.02427%0.269CS..Hα-helixtrans-59.9-49.3174.6173.20000110.4M105 P168 V169 A172 E204 M205 N210 A211 I212M105-V208 HydrophobicContact CE-CB 4.43Å; M105-V208 HydrophobicContact CE-CG1 4.22Å; M105-V208 HydrophobicContact SD-CG1 4.26Å; P168-V208 HydrophobicContact CB-CG2 4.14Å; P168-V208 HydrophobicContact CG-CG2 4.22Å; V169-V208 HydrophobicContact CG2-CG2 3.82Å; A172-V208 HydrophobicContact CB-CG1 3.89Å; E204-V208 WeakPolarHBondContact O-CG2 3.34Å; E204-V208 PolarHBondContact O-N 2.82Å; M205-V208 PolarHBondContact O-N 3.36Å; V208-N210 VanDerWaalsContact C-N 3.32Å; V208-N210 PolarHBondContact O-N 3.37Å; V208-A211 PolarHBondContact O-N 3.03Å; V208-A211 VanDerWaalsContact O-N 3.13Å; V208-I212 HydrophobicContact CG1-CD1 4.29Å; V208-I212 WeakPolarHBondContact O-CG1 3.28Å; V208-I212 PolarHBondContact O-N 3.35Å
209S92Very high87.9Confident17 Ų1747.6 Ų47.612%0.11925%0.254CS..Hα-helixtrans-59.9-40.8179.2-172.50000112.2M205 L206 A211 E213 P214M205-S209 VanDerWaalsContact O-CB 3.32Å; M205-S209 WeakPolarHBondContact O-CB 2.9Å; M205-S209 PolarHBondContact O-N 2.81Å; L206-S209 PolarHBondContact O-N 3.38Å; S209-A211 VanDerWaalsContact C-N 3.33Å; S209-E213 WeakPolarHBondContact O-CA 3.43Å; S209-E213 PolarHBondContact O-N 2.85Å; S209-P214 WeakPolarHBondContact O-CD 3.39Å
210N92.4Very high88.7Confident106 Ų10642.4 Ų42.457%0.56723%0.226SC*.Hα-helixtrans-70.9-29.6177.8-69.2-17.5000112.3L206 Q207 V208L206-N210 WeakPolarHBondContact O-CB 3.26Å; L206-N210 PolarHBondContact O-N 3.47Å; L206-N210 PolarHBondContact O-ND2 3.47Å; Q207-N210 PolarHBondContact O-N 2.9Å; V208-N210 VanDerWaalsContact C-N 3.32Å; V208-N210 PolarHBondContact O-N 3.37Å
211A92.9Very high89.3Confident40 Ų4038.9 Ų38.933%0.33120%0.201SC..Hα-helixtrans-79.6-31.5-179.300000113.6V169 Q207 V208 S209V169-A211 HydrophobicContact CG1-CB 3.5Å; V169-A211 VanDerWaalsContact CG1-CB 3.5Å; Q207-A211 WeakPolarHBondContact O-CB 3.44Å; Q207-A211 PolarHBondContact O-N 2.85Å; V208-A211 PolarHBondContact O-N 3.03Å; V208-A211 VanDerWaalsContact O-N 3.13Å; S209-A211 VanDerWaalsContact C-N 3.33Å
212I93Very high90.1Very high14 Ų1439.7 Ų39.77%0.07221%0.206CC..Hα-helixtrans-101.9-13.2-179.870.7178.9000114.5V103 M105 A172 V176 V189 V208 P214V103-I212 HydrophobicContact CG1-CB 4.47Å; V103-I212 HydrophobicContact CG1-CD1 4.06Å; V103-I212 HydrophobicContact CG1-CG1 4.32Å; M105-I212 HydrophobicContact CB-CD1 4.31Å; M105-I212 HydrophobicContact CG-CD1 4.45Å; M105-I212 HydrophobicContact SD-CD1 4.11Å; A172-I212 HydrophobicContact CB-CG2 3.65Å; V176-I212 HydrophobicContact CG2-CB 4.13Å; V176-I212 HydrophobicContact CG2-CG2 3.93Å; V189-I212 HydrophobicContact CB-CD1 4.21Å; V189-I212 HydrophobicContact CG1-CD1 4.27Å; V189-I212 HydrophobicContact CG2-CD1 3.81Å; V208-I212 HydrophobicContact CG1-CD1 4.29Å; V208-I212 WeakPolarHBondContact O-CG1 3.28Å; V208-I212 PolarHBondContact O-N 3.35Å; I212-P214 HydrophobicContact CD1-CB 4.35Å; I212-P214 HydrophobicContact CG1-CB 4.33Å; I212-P214 HydrophobicContact CG1-CG 4.34Å
213E92.3Very high90.3Very high160 Ų16039.4 Ų39.475%0.74821%0.205SC*.  trans45.765.4-177.5-61.4-175.8159.600112.6S209 D215S209-E213 WeakPolarHBondContact O-CA 3.43Å; S209-E213 PolarHBondContact O-N 2.85Å; E213-D215 PolarHBondContact O-N 3.24Å
214P93.9Very high90.2Very high23 Ų2337.1 Ų37.115%0.14920%0.202CC..  trans-68.9131.4-170.930-33.5000111.7V103 M105 S209 I212 H216 V217V103-P214 HydrophobicContact CG1-CB 4.2Å; V103-P214 CarbonylContact O-C 3.55Å; M105-P214 HydrophobicContact CB-CB 3.8Å; M105-P214 HydrophobicContact CB-CG 4.06Å; M105-P214 HydrophobicContact SD-CG 4.22Å; S209-P214 WeakPolarHBondContact O-CD 3.39Å; I212-P214 HydrophobicContact CD1-CB 4.35Å; I212-P214 HydrophobicContact CG1-CB 4.33Å; I212-P214 HydrophobicContact CG1-CG 4.34Å; P214-H216 PolarHBondContact O-N 3.26Å; P214-V217 HydrophobicContact CB-CG2 4.33Å; P214-V217 HydrophobicContact CG-CG2 3.72Å
215D93.6Very high90Very high85 Ų8537.6 Ų37.646%0.45521%0.205SC..SBendtrans-63.1-29173.3-59.7-78.2000112.4W94 N102 V103 E213W94-D215 HydrophobicContact CZ2-CB 4.05Å; N102-D215 VanDerWaalsContact CA-OD2 3.32Å; N102-D215 WeakPolarHBondContact CA-OD2 3.39Å; V103-D215 PolarHBondContact N-OD2 3.21Å; V103-D215 PolarHBondContact O-N 2.66Å; E213-D215 PolarHBondContact O-N 3.24Å
216H93.4Very high89.5Confident5 Ų537.8 Ų37.82%0.02321%0.208CC..EExtended strand (participates in β ladder)trans-145124.1-177.4-162.241.9000112.1W94 V103 I104 M105 P214 S243 S244W94-H216 VanDerWaalsContact CB-CE1 3.49Å; W94-H216 WeakPolarHBondContact CB-CE1 3.48Å; W94-H216 HydrophobicContact CD2-CB 3.82Å; W94-H216 AromaticContact CD2-CD2 3.98Å; W94-H216 AromaticContact CD2-CG 3.71Å; W94-H216 HydrophobicContact CE3-CB 4.01Å; W94-H216 AromaticContact CE3-CD2 3.58Å; W94-H216 AromaticContact CE3-CG 3.77Å; W94-H216 HydrophobicContact CG-CB 4.25Å; W94-H216 AromaticContact CG-CG 3.86Å; W94-H216 AromaticContact CG-ND1 3.71Å; W94-H216 HydrophobicContact CH2-CB 4.35Å; W94-H216 HydrophobicContact CZ2-CB 4.2Å; W94-H216 HydrophobicContact CZ3-CB 4.27Å; V103-H216 PolarHBondContact O-N 3.37Å; I104-H216 CarbonylContact C-O 3.56Å; I104-H216 VanDerWaalsContact CA-O 3.28Å; I104-H216 WeakPolarHBondContact CA-O 3.41Å; I104-H216 HydrophobicContact CG1-CB 4.37Å; M105-H216 PolarHBondContact N-O 3.04Å; P214-H216 PolarHBondContact O-N 3.26Å; H216-S243 PolarHBondContact CE1-OG 3.49Å; H216-S243 PolarHBondContact ND1-OG 2.97Å; H216-S244 VanDerWaalsContact CE1-CB 3.49Å; H216-S244 WeakPolarHBondContact CE1-CB 3.33Å; H216-S244 PolarHBondContact CE1-OG 2.79Å; H216-S244 VanDerWaalsContact CE1-OG 3.24Å; H216-S244 WeakPolarHBondContact NE2-CB 3.3Å; H216-S244 PolarHBondContact NE2-OG 2.83Å
217V93.6Very high88.8Confident7 Ų737.8 Ų37.84%0.04221%0.207CC..EExtended strand (participates in β ladder)trans-107.9119.9175-174.20000108.7M105 V107 P214 V240 D241 V242 S243 S244M105-V217 WeakPolarHBondContact O-CA 3.38Å; V107-V217 HydrophobicContact CG1-CG1 4.13Å; V107-V217 HydrophobicContact CG2-CG1 3.78Å; P214-V217 HydrophobicContact CB-CG2 4.33Å; P214-V217 HydrophobicContact CG-CG2 3.72Å; V217-V240 HydrophobicContact CB-CG1 4.41Å; V217-V240 HydrophobicContact CG1-CG1 3.68Å; V217-V240 HydrophobicContact CG2-CG1 4.14Å; V217-D241 WeakPolarHBondContact CB-O 3.35Å; V217-V242 HydrophobicContact CG1-CG2 4.41Å; V217-S243 PolarHBondContact N-OG 2.96Å; V217-S243 VanDerWaalsContact N-OG 3.15Å; V217-S243 PolarHBondContact O-N 3.13Å; V217-S243 PolarHBondContact O-OG 3.35Å; V217-S244 PolarHBondContact O-N 3.12Å
218I93.9Very high88.4Confident3 Ų335.2 Ų35.22%0.01520%0.204CC..EExtended strand (participates in β ladder)trans-109.2122.1-177.4-51.1-172.2000109.9I104 M105 L106 V107 L121 S244 I246I104-I218 HydrophobicContact CG2-CD1 3.5Å; I104-I218 VanDerWaalsContact CG2-CD1 3.5Å; I104-I218 HydrophobicContact CG2-CG1 3.77Å; M105-I218 PolarHBondContact O-N 3.31Å; L106-I218 HydrophobicContact CD2-CB 3.74Å; L106-I218 HydrophobicContact CD2-CD1 4.08Å; L106-I218 HydrophobicContact CD2-CG1 4.2Å; L106-I218 HydrophobicContact CD2-CG2 4.3Å; V107-I218 PolarHBondContact N-O 3.16Å; L121-I218 HydrophobicContact CD2-CD1 3.87Å; I218-S244 WeakPolarHBondContact CA-O 3.48Å; I218-S244 WeakPolarHBondContact CG1-OG 3.4Å; I218-I246 HydrophobicContact CD1-CD1 4.16Å; I218-I246 HydrophobicContact CG2-CB 4.16Å; I218-I246 HydrophobicContact CG2-CD1 3.57Å; I218-I246 HydrophobicContact CG2-CG1 3.5Å; I218-I246 VanDerWaalsContact CG2-CG1 3.5Å
219Y92Very high87.9Confident1 Ų135 Ų350%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-86113.3171.4179-121.2000110.7V107 L221 A233 F236 V242 S244 V245 I246V107-Y219 HydrophobicContact CG2-CD2 4.33Å; V107-Y219 CarbonylContact O-C 3.6Å; V107-Y219 WeakPolarHBondContact O-CA 3.22Å; Y219-L221 HydrophobicContact CE1-CB 4.27Å; Y219-L221 HydrophobicContact CE1-CD1 3.84Å; Y219-A233 HydrophobicContact CD1-CB 4.4Å; Y219-A233 HydrophobicContact CE1-CB 3.75Å; Y219-F236 HydrophobicContact CD2-CB 4.3Å; Y219-F236 HydrophobicContact CD2-CD1 4.36Å; Y219-F236 HydrophobicContact CD2-CD2 4.25Å; Y219-F236 HydrophobicContact CD2-CG 4.05Å; Y219-F236 HydrophobicContact CE2-CB 4.29Å; Y219-F236 HydrophobicContact CE2-CD1 4.33Å; Y219-F236 AromaticContact CE2-CD2 3.52Å; Y219-F236 HydrophobicContact CE2-CD2 3.52Å; Y219-F236 AromaticContact CE2-CE2 3.88Å; Y219-F236 HydrophobicContact CE2-CE2 3.88Å; Y219-F236 AromaticContact CE2-CG 3.79Å; Y219-F236 HydrophobicContact CE2-CG 3.79Å; Y219-F236 HydrophobicContact CE2-CZ 4.42Å; Y219-V242 VanDerWaalsContact CB-CG1 3.43Å; Y219-S244 PolarHBondContact N-O 3.47Å; Y219-V245 HydrophobicContact CD1-CG1 4.36Å; Y219-V245 HydrophobicContact CD1-CG2 4.39Å; Y219-V245 CarbonylContact O-C 3.46Å; Y219-V245 VanDerWaalsContact O-CA 3.29Å; Y219-V245 WeakPolarHBondContact O-CA 3.5Å; Y219-I246 PolarHBondContact O-N 3.45Å
220V92.4Very high87.4Confident0 Ų037.3 Ų37.30%021%0.211CC..EExtended strand (participates in β ladder)trans-88.9119.6177.4-173.90000109.1L106 V107 C112 K114 T117 T248L106-V220 HydrophobicContact CB-CG2 4.37Å; L106-V220 HydrophobicContact CD2-CG2 4.41Å; V107-V220 PolarHBondContact O-N 3.24Å; C112-V220 PolarHBondContact SG-O 3.15Å; K114-V220 HydrophobicContact CG-CB 3.96Å; K114-V220 HydrophobicContact CG-CG1 4.46Å; K114-V220 HydrophobicContact CG-CG2 4.13Å; T117-V220 HydrophobicContact CG2-CG1 4.5Å; T117-V220 HydrophobicContact CG2-CG2 4.22Å; V220-T248 HydrophobicContact CG1-CG2 3.51Å
221L89.2Confident86.9Confident1 Ų134.5 Ų34.51%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-113.9136.6-176.2-176.973.5000111.1Y219 I225 C229 V245 I246 V247 T248 A262Y219-L221 HydrophobicContact CE1-CB 4.27Å; Y219-L221 HydrophobicContact CE1-CD1 3.84Å; L221-I225 HydrophobicContact CD1-CD1 4.32Å; L221-I225 HydrophobicContact CD1-CG2 3.91Å; L221-I225 HydrophobicContact CG-CG2 4.46Å; L221-C229 WeakPolarHBondContact CD1-SG 3.18Å; L221-V245 HydrophobicContact CB-CG1 4.22Å; L221-I246 PolarHBondContact N-O 3.47Å; L221-V247 CarbonylContact O-C 3.57Å; L221-V247 WeakPolarHBondContact O-CA 3.35Å; L221-T248 PolarHBondContact O-N 2.91Å; L221-T248 PolarHBondContact O-OG1 3.5Å; L221-A262 HydrophobicContact CD2-CB 3.65Å
222D88.2Confident86.4Confident22 Ų2233.4 Ų33.412%0.11819%0.191CC..EExtended strand (participates in β ladder)trans-81.5126.4167.4-170.2-32.1000110.4C112 S224 I225 K249C112-D222 HydrophobicContact CB-CB 4.12Å; D222-S224 PolarHBondContact O-N 3.32Å; D222-S224 WeakPolarHBondContact OD1-CB 3.31Å; D222-S224 PolarHBondContact OD1-N 3.17Å; D222-S224 PolarHBondContact OD1-OG 2.64Å; D222-S224 PolarHBondContact OD2-OG 2.82Å; D222-I225 WeakPolarHBondContact O-CG2 3.34Å; D222-I225 PolarHBondContact O-N 3.29Å; D222-K249 WeakPolarHBondContact OD2-CD 3.41Å; D222-K249 WeakPolarHBondContact OD2-CE 3.3Å; D222-K249 IonicContact OD2-NZ 2.82Å; D222-K249 PolarHBondContact OD2-NZ 3.1Å
223A83.8Confident86Confident2 Ų232.8 Ų32.82%0.01719%0.188CC..THydrogen-bonded Turntrans-59.8-15.8177.400000114.7V247 T248 L250 A254A223-V247 HydrophobicContact CB-CG1 3.87Å; A223-T248 WeakPolarHBondContact CB-O 3.29Å; A223-T248 PolarHBondContact N-O 2.86Å; A223-T248 VanDerWaalsContact N-O 3.1Å; A223-L250 HydrophobicContact CB-CD2 3.62Å; A223-L250 HydrophobicContact CB-CG 4.48Å; A223-A254 HydrophobicContact CB-CB 3.53Å
224S81Confident85.7Confident73 Ų7327.5 Ų27.551%0.5117%0.168SC..THydrogen-bonded Turntrans-87.8-7.9-178.666.10000115.4D222 G226D222-S224 PolarHBondContact O-N 3.32Å; D222-S224 WeakPolarHBondContact OD1-CB 3.31Å; D222-S224 PolarHBondContact OD1-N 3.17Å; D222-S224 PolarHBondContact OD1-OG 2.64Å; D222-S224 PolarHBondContact OD2-OG 2.82Å; S224-G226 PolarHBondContact O-N 3.12Å; S224-G226 VanDerWaalsContact O-N 3.08Å
225I79.5Confident85.2Confident42 Ų4227 Ų2722%0.21517%0.166CC..  trans-61.4-22.8-173.4-164164.7000114.4L109 L221 D222 A228 C229 Q232L109-I225 HydrophobicContact CD1-CD1 3.47Å; L109-I225 VanDerWaalsContact CD1-CD1 3.47Å; L221-I225 HydrophobicContact CD1-CD1 4.32Å; L221-I225 HydrophobicContact CD1-CG2 3.91Å; L221-I225 HydrophobicContact CG-CG2 4.46Å; D222-I225 WeakPolarHBondContact O-CG2 3.34Å; D222-I225 PolarHBondContact O-N 3.29Å; I225-A228 HydrophobicContact CG1-CB 4.35Å; I225-C229 HydrophobicContact CG2-CB 3.54Å; I225-Q232 HydrophobicContact CD1-CB 4.47Å; I225-Q232 HydrophobicContact CD1-CG 4.22Å
226G74.7Confident84.8Confident7 Ų723 Ų237%0.07215%0.145CC..G310 helixtrans61.2-137.1-178.300000113.7S224 A228 C229S224-G226 PolarHBondContact O-N 3.12Å; S224-G226 VanDerWaalsContact O-N 3.08Å; G226-A228 VanDerWaalsContact C-N 3.33Å; G226-A228 PolarHBondContact O-N 3.48Å; G226-C229 WeakPolarHBondContact O-CB 3.29Å; G226-C229 PolarHBondContact O-N 3.01Å
227Q73.4Confident84.4Confident72 Ų7226 Ų2634%0.33616%0.158SC..G310 helixtrans-68.1-26-172.4-62.7-68-23.700114.2D43 V44 N45 C229D43-Q227 HydrophobicContact CB-CG 4.49Å; D43-Q227 PolarHBondContact O-NE2 2.84Å; V44-Q227 VanDerWaalsContact C-NE2 3.25Å; V44-Q227 PolarHBondContact O-NE2 2.85Å; N45-Q227 VanDerWaalsContact CA-OE1 3.3Å; Q227-C229 PolarHBondContact O-N 2.92Å
228A79.7Confident84.1Confident55 Ų5529.7 Ų29.746%0.45519%0.189SC..G310 helixtrans-65-12.4178.200000112.8I225 G226 E230 Q232I225-A228 HydrophobicContact CG1-CB 4.35Å; G226-A228 VanDerWaalsContact C-N 3.33Å; G226-A228 PolarHBondContact O-N 3.48Å; A228-E230 PolarHBondContact O-N 3.45Å; A228-Q232 WeakPolarHBondContact O-CG 3.28Å; A228-Q232 PolarHBondContact O-N 2.8Å
229C81.3Confident83.6Confident0 Ų034.6 Ų34.60%021%0.21CC..Hα-helixtrans-54.7-45.5-179.7-166.30000114.4L221 I225 G226 Q227 Q232 A233 G258 A262L221-C229 WeakPolarHBondContact CD1-SG 3.18Å; I225-C229 HydrophobicContact CG2-CB 3.54Å; G226-C229 WeakPolarHBondContact O-CB 3.29Å; G226-C229 PolarHBondContact O-N 3.01Å; Q227-C229 PolarHBondContact O-N 2.92Å; C229-Q232 PolarHBondContact O-N 3.24Å; C229-A233 VanDerWaalsContact O-CB 3.27Å; C229-A233 WeakPolarHBondContact O-CB 3.34Å; C229-A233 PolarHBondContact O-N 2.96Å; C229-G258 PolarHBondContact SG-O 3.27Å; C229-A262 VanDerWaalsContact SG-CB 3.54Å
230E81.4Confident83.2Confident65 Ų6534.8 Ų34.830%0.30421%0.211SC..Hα-helixtrans-59.8-53.5-174.7-178.8-173.1-162.300110N45 A228 Q232 A233 S234 A265N45-E230 PolarHBondContact ND2-OE2 2.72Å; A228-E230 PolarHBondContact O-N 3.45Å; E230-Q232 VanDerWaalsContact C-N 3.29Å; E230-Q232 PolarHBondContact O-N 3.22Å; E230-A233 PolarHBondContact O-N 3.06Å; E230-S234 WeakPolarHBondContact O-CB 3.3Å; E230-S234 PolarHBondContact O-N 3.16Å; E230-S234 PolarHBondContact O-OG 2.9Å; E230-S234 VanDerWaalsContact O-OG 3.1Å; E230-A265 HydrophobicContact CB-CB 4.39Å; E230-A265 HydrophobicContact CG-CB 3.93Å
231A82.6Confident82.9Confident47 Ų4740.2 Ų40.239%0.38824%0.24SC..Hα-helixtrans-57.8-43.6179.400000111.3R196 A235R196-A231 PolarHBondContact NH1-O 3.23Å; A231-A235 PolarHBondContact O-N 2.99Å
232Q82.5Confident82.9Confident18 Ų1840.1 Ų40.18%0.08424%0.24CC..Hα-helixtrans-65.5-51.9-179.5-66.5-67.3-13.600111.4L109 R196 I225 A228 C229 E230 S234 A235 F236L109-Q232 HydrophobicContact CD1-CB 4.34Å; L109-Q232 HydrophobicContact CD1-CG 4Å; R196-Q232 VanDerWaalsContact CB-OE1 3.29Å; I225-Q232 HydrophobicContact CD1-CB 4.47Å; I225-Q232 HydrophobicContact CD1-CG 4.22Å; A228-Q232 WeakPolarHBondContact O-CG 3.28Å; A228-Q232 PolarHBondContact O-N 2.8Å; C229-Q232 PolarHBondContact O-N 3.24Å; E230-Q232 VanDerWaalsContact C-N 3.29Å; E230-Q232 PolarHBondContact O-N 3.22Å; Q232-S234 VanDerWaalsContact C-N 3.34Å; Q232-S234 PolarHBondContact O-N 3.48Å; Q232-A235 WeakPolarHBondContact O-CB 3.32Å; Q232-A235 PolarHBondContact O-N 3.25Å; Q232-A235 VanDerWaalsContact O-N 3.08Å; Q232-F236 WeakPolarHBondContact O-CD2 3.43Å; Q232-F236 PolarHBondContact O-N 3.43Å; Q232-F236 VanDerWaalsContact O-N 3.12Å
233A84.1Confident82.8Confident0 Ų040.9 Ų40.90%025%0.247CC..Hα-helixtrans-63.1-39.5-177.300000112Y219 C229 E230 A235 F236 K237 A262 A265 T266Y219-A233 HydrophobicContact CD1-CB 4.4Å; Y219-A233 HydrophobicContact CE1-CB 3.75Å; C229-A233 VanDerWaalsContact O-CB 3.27Å; C229-A233 WeakPolarHBondContact O-CB 3.34Å; C229-A233 PolarHBondContact O-N 2.96Å; E230-A233 PolarHBondContact O-N 3.06Å; A233-A235 VanDerWaalsContact C-N 3.33Å; A233-A235 PolarHBondContact O-N 2.82Å; A233-F236 PolarHBondContact O-N 2.85Å; A233-K237 WeakPolarHBondContact O-CB 3.49Å; A233-K237 PolarHBondContact O-N 3.46Å; A233-A262 HydrophobicContact CB-CB 4.32Å; A233-A265 HydrophobicContact CB-CB 4.09Å; A233-T266 HydrophobicContact CB-CG2 3.56Å
234S84.8Confident83.2Confident49 Ų4940.8 Ų40.834%0.34325%0.246SC..Hα-helixtrans-63.2-36173.5-62.10000113E230 Q232 K237 A238E230-S234 WeakPolarHBondContact O-CB 3.3Å; E230-S234 PolarHBondContact O-N 3.16Å; E230-S234 PolarHBondContact O-OG 2.9Å; E230-S234 VanDerWaalsContact O-OG 3.1Å; Q232-S234 VanDerWaalsContact C-N 3.34Å; Q232-S234 PolarHBondContact O-N 3.48Å; S234-K237 PolarHBondContact O-N 2.98Å; S234-A238 WeakPolarHBondContact O-CB 3.35Å; S234-A238 PolarHBondContact O-N 3.38Å
235A84.8Confident83.7Confident12 Ų1237.3 Ų37.310%0.09922%0.222CC..Hα-helixtrans-67.5-42.7177.800000112.1R196 F202 A231 Q232 A233 A238 K239R196-A235 HydrophobicContact CG-CB 4.13Å; F202-A235 HydrophobicContact CZ-CB 4.23Å; A231-A235 PolarHBondContact O-N 2.99Å; Q232-A235 WeakPolarHBondContact O-CB 3.32Å; Q232-A235 PolarHBondContact O-N 3.25Å; Q232-A235 VanDerWaalsContact O-N 3.08Å; A233-A235 VanDerWaalsContact C-N 3.33Å; A233-A235 PolarHBondContact O-N 2.82Å; A235-A238 PolarHBondContact O-N 2.82Å; A235-K239 WeakPolarHBondContact O-CG 3.36Å; A235-K239 PolarHBondContact O-N 3.44Å
236F85Confident84.3Confident1 Ų135.3 Ų35.30%0.00421%0.212CC..Hα-helixtrans-63.3-46.2174.3-82.6-87.5000111.3V107 L109 F202 M205 Y219 Q232 A233 A238 K239 V240 V242V107-F236 HydrophobicContact CB-CD1 4.31Å; V107-F236 HydrophobicContact CB-CE1 4.35Å; V107-F236 HydrophobicContact CG2-CD1 4.28Å; L109-F236 HydrophobicContact CD2-CE2 3.91Å; L109-F236 HydrophobicContact CD2-CZ 4.3Å; L109-F236 HydrophobicContact CG-CE2 4.33Å; F202-F236 AromaticContact CE1-CD1 3.89Å; F202-F236 HydrophobicContact CE1-CD1 3.89Å; F202-F236 HydrophobicContact CE1-CD2 4.3Å; F202-F236 HydrophobicContact CE1-CE1 4.02Å; F202-F236 HydrophobicContact CE1-CE2 4.4Å; F202-F236 HydrophobicContact CE1-CG 4.04Å; F202-F236 HydrophobicContact CE1-CZ 4.26Å; F202-F236 HydrophobicContact CZ-CD2 4.34Å; F202-F236 HydrophobicContact CZ-CE2 4.23Å; F202-F236 HydrophobicContact CZ-CZ 4.32Å; M205-F236 HydrophobicContact CE-CD1 3.78Å; M205-F236 HydrophobicContact CE-CE1 3.53Å; M205-F236 HydrophobicContact SD-CD1 4.45Å; M205-F236 HydrophobicContact SD-CE1 3.8Å; Y219-F236 HydrophobicContact CD2-CB 4.3Å; Y219-F236 HydrophobicContact CD2-CD1 4.36Å; Y219-F236 HydrophobicContact CD2-CD2 4.25Å; Y219-F236 HydrophobicContact CD2-CG 4.05Å; Y219-F236 HydrophobicContact CE2-CB 4.29Å; Y219-F236 HydrophobicContact CE2-CD1 4.33Å; Y219-F236 AromaticContact CE2-CD2 3.52Å; Y219-F236 HydrophobicContact CE2-CD2 3.52Å; Y219-F236 AromaticContact CE2-CE2 3.88Å; Y219-F236 HydrophobicContact CE2-CE2 3.88Å; Y219-F236 AromaticContact CE2-CG 3.79Å; Y219-F236 HydrophobicContact CE2-CG 3.79Å; Y219-F236 HydrophobicContact CE2-CZ 4.42Å; Q232-F236 WeakPolarHBondContact O-CD2 3.43Å; Q232-F236 PolarHBondContact O-N 3.43Å; Q232-F236 VanDerWaalsContact O-N 3.12Å; A233-F236 PolarHBondContact O-N 2.85Å; F236-A238 VanDerWaalsContact C-N 3.27Å; F236-A238 PolarHBondContact O-N 2.86Å; F236-K239 PolarHBondContact O-N 2.76Å; F236-K239 VanDerWaalsContact O-N 3.15Å; F236-V240 PolarHBondContact O-N 3.48Å; F236-V242 HydrophobicContact CB-CG2 4.28Å
237K85.5Confident85Confident68 Ų6835.1 Ų35.130%0.29621%0.209SC..Hα-helixtrans-62.7-32.2178.8-174.859175.1175.40113.2A233 S234 K239 V240 D241 V242 T266A233-K237 WeakPolarHBondContact O-CB 3.49Å; A233-K237 PolarHBondContact O-N 3.46Å; S234-K237 PolarHBondContact O-N 2.98Å; K237-K239 VanDerWaalsContact C-N 3.32Å; K237-V240 CarbonylContact C-O 3.44Å; K237-V240 WeakPolarHBondContact CA-O 3.32Å; K237-D241 IonicContact NZ-OD1 3.84Å; K237-D241 PolarHBondContact NZ-OD1 3.25Å; K237-V242 HydrophobicContact CD-CB 4.11Å; K237-V242 PolarHBondContact NZ-O 3.07Å; K237-T266 HydrophobicContact CB-CG2 4.42Å
238A85.9Confident85.8Confident85 Ų8532.1 Ų32.170%0.70220%0.196SC*.Hα-helixtrans-73.3-21.8177.500000113.8S234 A235 F236S234-A238 WeakPolarHBondContact O-CB 3.35Å; S234-A238 PolarHBondContact O-N 3.38Å; A235-A238 PolarHBondContact O-N 2.82Å; F236-A238 VanDerWaalsContact C-N 3.27Å; F236-A238 PolarHBondContact O-N 2.86Å
239K84Confident86.1Confident106 Ų10633.7 Ų33.746%0.46119%0.192SC..Hα-helixtrans-106.8-34.4-175.7-67.6-71-172.11700113F202 A235 F236 K237F202-K239 HydrophobicContact CB-CB 4.4Å; F202-K239 HydrophobicContact CB-CD 4.3Å; F202-K239 HydrophobicContact CB-CG 4.12Å; F202-K239 HydrophobicContact CD1-CB 3.65Å; F202-K239 HydrophobicContact CD1-CG 3.69Å; F202-K239 HydrophobicContact CE1-CB 4.3Å; F202-K239 HydrophobicContact CE1-CG 4.3Å; F202-K239 HydrophobicContact CG-CB 4.3Å; F202-K239 HydrophobicContact CG-CG 3.96Å; A235-K239 WeakPolarHBondContact O-CG 3.36Å; A235-K239 PolarHBondContact O-N 3.44Å; F236-K239 PolarHBondContact O-N 2.76Å; F236-K239 VanDerWaalsContact O-N 3.15Å; K237-K239 VanDerWaalsContact C-N 3.32Å
240V83.9Confident86Confident5 Ų534.4 Ų34.43%0.0320%0.196CC..SBendtrans-131.9141.4-179.4-1760000108.3M205 V217 F236 K237 V242M205-V240 HydrophobicContact CB-CG2 4.45Å; M205-V240 HydrophobicContact CE-CG2 4.11Å; V217-V240 HydrophobicContact CB-CG1 4.41Å; V217-V240 HydrophobicContact CG1-CG1 3.68Å; V217-V240 HydrophobicContact CG2-CG1 4.14Å; F236-V240 PolarHBondContact O-N 3.48Å; K237-V240 CarbonylContact C-O 3.44Å; K237-V240 WeakPolarHBondContact CA-O 3.32Å; V240-V242 PolarHBondContact O-N 3.02Å
241D86.5Confident85.8Confident114 Ų11435 Ų3561%0.6120%0.201SC*.  trans-75.974.6-179-168.621.7000112.6V217 K237 S243V217-D241 WeakPolarHBondContact CB-O 3.35Å; K237-D241 IonicContact NZ-OD1 3.84Å; K237-D241 PolarHBondContact NZ-OD1 3.25Å; D241-S243 PolarHBondContact O-N 3.34Å
242V87.7Confident85.2Confident0 Ų034 Ų340%020%0.196CC..  trans-62.8116.2176.5175.10000109.7V107 V217 Y219 F236 K237 V240 S244 S268V107-V242 HydrophobicContact CG2-CG2 4.2Å; V217-V242 HydrophobicContact CG1-CG2 4.41Å; Y219-V242 VanDerWaalsContact CB-CG1 3.43Å; F236-V242 HydrophobicContact CB-CG2 4.28Å; K237-V242 HydrophobicContact CD-CB 4.11Å; K237-V242 PolarHBondContact NZ-O 3.07Å; V240-V242 PolarHBondContact O-N 3.02Å; V242-S244 WeakPolarHBondContact CG1-O 3.41Å; V242-S268 PolarHBondContact O-OG 3.38Å
243S87.1Confident84.4Confident38 Ų3841.3 Ų41.327%0.26623%0.23SC..  trans-104.6-17.1-176.934.70000113.5H216 V217 D241H216-S243 PolarHBondContact CE1-OG 3.49Å; H216-S243 PolarHBondContact ND1-OG 2.97Å; V217-S243 PolarHBondContact N-OG 2.96Å; V217-S243 VanDerWaalsContact N-OG 3.15Å; V217-S243 PolarHBondContact O-N 3.13Å; V217-S243 PolarHBondContact O-OG 3.35Å; D241-S243 PolarHBondContact O-N 3.34Å
244S91.4Very high83.3Confident0 Ų041.8 Ų41.80%023%0.234CC..EExtended strand (participates in β ladder)trans-149.6166.7168.671.20000113.5H216 V217 I218 Y219 V242 P269 T271H216-S244 VanDerWaalsContact CE1-CB 3.49Å; H216-S244 WeakPolarHBondContact CE1-CB 3.33Å; H216-S244 PolarHBondContact CE1-OG 2.79Å; H216-S244 VanDerWaalsContact CE1-OG 3.24Å; H216-S244 WeakPolarHBondContact NE2-CB 3.3Å; H216-S244 PolarHBondContact NE2-OG 2.83Å; V217-S244 PolarHBondContact O-N 3.12Å; I218-S244 WeakPolarHBondContact CA-O 3.48Å; I218-S244 WeakPolarHBondContact CG1-OG 3.4Å; Y219-S244 PolarHBondContact N-O 3.47Å; V242-S244 WeakPolarHBondContact CG1-O 3.41Å; S244-P269 WeakPolarHBondContact CA-O 3.28Å; S244-P269 WeakPolarHBondContact CB-O 3.38Å; S244-T271 VanDerWaalsContact CB-CG2 3.41Å; S244-T271 PolarHBondContact OG-OG1 2.89Å
245V91Very high82.3Confident0 Ų043 Ų430%023%0.233CC..EExtended strand (participates in β ladder)trans-120.1140177.4-177.80000110Y219 L221 V247 A262 P269 I270 T271Y219-V245 HydrophobicContact CD1-CG1 4.36Å; Y219-V245 HydrophobicContact CD1-CG2 4.39Å; Y219-V245 CarbonylContact O-C 3.46Å; Y219-V245 VanDerWaalsContact O-CA 3.29Å; Y219-V245 WeakPolarHBondContact O-CA 3.5Å; L221-V245 HydrophobicContact CB-CG1 4.22Å; V245-V247 HydrophobicContact CG1-CG2 4.41Å; V245-A262 HydrophobicContact CG1-CB 4.47Å; V245-P269 PolarHBondContact N-O 3.18Å; V245-I270 HydrophobicContact CB-CG1 4.26Å; V245-I270 HydrophobicContact CG1-CG1 4.48Å; V245-I270 CarbonylContact O-C 3.48Å; V245-I270 VanDerWaalsContact O-CA 3.24Å; V245-I270 WeakPolarHBondContact O-CA 3.43Å; V245-T271 PolarHBondContact O-N 2.68Å; V245-T271 PolarHBondContact O-OG1 3.34Å
246I92.2Very high81.4Confident0 Ų042.7 Ų42.70%023%0.231CC..EExtended strand (participates in β ladder)trans-116.9131.9166.8-67.4177.7000108.7T117 I218 Y219 L221 T248 F272 F282T117-I246 HydrophobicContact CG2-CB 4.39Å; T117-I246 HydrophobicContact CG2-CD1 3.7Å; T117-I246 HydrophobicContact CG2-CG2 3.8Å; I218-I246 HydrophobicContact CD1-CD1 4.16Å; I218-I246 HydrophobicContact CG2-CB 4.16Å; I218-I246 HydrophobicContact CG2-CD1 3.57Å; I218-I246 HydrophobicContact CG2-CG1 3.5Å; I218-I246 VanDerWaalsContact CG2-CG1 3.5Å; Y219-I246 PolarHBondContact O-N 3.45Å; L221-I246 PolarHBondContact N-O 3.47Å; I246-T248 HydrophobicContact CG2-CG2 4.33Å; I246-F272 WeakPolarHBondContact CA-O 3.33Å; I246-F272 HydrophobicContact CD1-CB 4.16Å; I246-F272 HydrophobicContact CD1-CD2 4.13Å; I246-F272 HydrophobicContact CG1-CB 3.99Å; I246-F272 HydrophobicContact CG1-CD2 4.36Å; I246-F272 HydrophobicContact CG2-CB 4.33Å; I246-F282 HydrophobicContact CD1-CE2 4.36Å; I246-F282 HydrophobicContact CD1-CZ 3.96Å; I246-F282 HydrophobicContact CG2-CE2 4.02Å
247V89.6Confident80.6Confident2 Ų242.7 Ų42.71%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-104.2120.5178.8-174.50000109.8L221 A223 V245 L250 A259 I270 F272 I273 G274L221-V247 CarbonylContact O-C 3.57Å; L221-V247 WeakPolarHBondContact O-CA 3.35Å; A223-V247 HydrophobicContact CB-CG1 3.87Å; V245-V247 HydrophobicContact CG1-CG2 4.41Å; V247-L250 HydrophobicContact CG1-CD1 4.45Å; V247-L250 HydrophobicContact CG1-CD2 3.84Å; V247-L250 HydrophobicContact CG1-CG 4.08Å; V247-A259 HydrophobicContact CB-CB 4.44Å; V247-A259 HydrophobicContact CG1-CB 4Å; V247-A259 HydrophobicContact CG2-CB 3.61Å; V247-I270 HydrophobicContact CG2-CD1 3.98Å; V247-I270 HydrophobicContact CG2-CG1 4.29Å; V247-I270 HydrophobicContact CG2-CG2 4.09Å; V247-F272 PolarHBondContact N-O 2.85Å; V247-I273 HydrophobicContact CB-CG2 4.3Å; V247-I273 CarbonylContact O-C 3.57Å; V247-I273 VanDerWaalsContact O-CA 3.31Å; V247-I273 WeakPolarHBondContact O-CA 3.28Å; V247-G274 PolarHBondContact O-N 3.38Å
248T90.2Very high79.9Confident9 Ų939.5 Ų39.56%0.05522%0.217CC..EExtended strand (participates in β ladder)trans-103.4168.7-17968.80000111.7C112 T117 V220 L221 A223 I246 L250C112-T248 WeakPolarHBondContact O-CB 3.32Å; C112-T248 WeakPolarHBondContact O-CG2 3.4Å; C112-T248 PolarHBondContact O-OG1 3.36Å; T117-T248 WeakPolarHBondContact OG1-CG2 3.08Å; V220-T248 HydrophobicContact CG1-CG2 3.51Å; L221-T248 PolarHBondContact O-N 2.91Å; L221-T248 PolarHBondContact O-OG1 3.5Å; A223-T248 WeakPolarHBondContact CB-O 3.29Å; A223-T248 PolarHBondContact N-O 2.86Å; A223-T248 VanDerWaalsContact N-O 3.1Å; I246-T248 HydrophobicContact CG2-CG2 4.33Å; T248-L250 VanDerWaalsContact C-N 3.31Å; T248-L250 PolarHBondContact O-N 3.32Å
249K85.8Confident79.3Confident89 Ų8935.7 Ų35.739%0.38719%0.186SC..  trans59.933.2174.5-51.7-174.7-166166.30114.3G111 D222 D251 G252 G274G111-K249 PolarHBondContact O-NZ 2.92Å; D222-K249 WeakPolarHBondContact OD2-CD 3.41Å; D222-K249 WeakPolarHBondContact OD2-CE 3.3Å; D222-K249 IonicContact OD2-NZ 2.82Å; D222-K249 PolarHBondContact OD2-NZ 3.1Å; K249-D251 WeakPolarHBondContact CA-OD1 3.48Å; K249-D251 PolarHBondContact O-N 2.93Å; K249-G252 PolarHBondContact O-N 3.46Å; K249-G274 PolarHBondContact N-O 3.45Å
250L80.2Confident78.9Confident14 Ų1431.2 Ų31.27%0.07317%0.167CC..THydrogen-bonded Turntrans-72.1-14.4176.2-72.4-174.9000113.8L3 A223 V247 T248 G252 I273 G274L3-L250 HydrophobicContact CD1-CD2 4.02Å; A223-L250 HydrophobicContact CB-CD2 3.62Å; A223-L250 HydrophobicContact CB-CG 4.48Å; V247-L250 HydrophobicContact CG1-CD1 4.45Å; V247-L250 HydrophobicContact CG1-CD2 3.84Å; V247-L250 HydrophobicContact CG1-CG 4.08Å; T248-L250 VanDerWaalsContact C-N 3.31Å; T248-L250 PolarHBondContact O-N 3.32Å; L250-G252 VanDerWaalsContact C-N 3.31Å; L250-I273 HydrophobicContact CD1-CB 3.66Å; L250-I273 HydrophobicContact CD1-CD1 4.09Å; L250-I273 HydrophobicContact CD1-CG1 4.44Å; L250-I273 HydrophobicContact CD1-CG2 3.66Å; L250-G274 PolarHBondContact N-O 2.96Å; L250-G274 VanDerWaalsContact N-O 3.12Å
251D77.5Confident78.4Confident77 Ų7731 Ų3141%0.41217%0.166SC..THydrogen-bonded Turntrans-72.2-24171.954.7-53.4000113.6K249 T275 G276K249-D251 WeakPolarHBondContact CA-OD1 3.48Å; K249-D251 PolarHBondContact O-N 2.93Å; D251-T275 WeakPolarHBondContact CB-O 3.43Å; D251-G276 VanDerWaalsContact CG-CA 3.49Å; D251-G276 PolarHBondContact OD1-N 3.49Å
252G70.4Confident77.9Confident28 Ų2825.6 Ų25.629%0.28914%0.137SC..SBendtrans-74.2-167.4-176.400000114.9K249 L250 A254K249-G252 PolarHBondContact O-N 3.46Å; L250-G252 VanDerWaalsContact C-N 3.31Å; G252-A254 PolarHBondContact O-N 3.45Å
253H63.7Low77.5Confident171 Ų17125.9 Ų25.979%0.79214%0.138SC*.SBendtrans-80.418.7168.7-68.7-82.5000112.5V2 K255V2-H253 HydrophobicContact CG2-CB 4.26Å; V2-H253 WeakPolarHBondContact CG2-O 3.11Å; H253-K255 PolarHBondContact O-N 2.94Å
254A61.8Low76.9Confident9 Ų925.7 Ų25.77%0.07414%0.139CC..  trans-69.4131.1178.600000110.4V2 A223 G252 G256V2-A254 WeakPolarHBondContact CB-O 3.26Å; A223-A254 HydrophobicContact CB-CB 3.53Å; G252-A254 PolarHBondContact O-N 3.45Å; A254-G256 PolarHBondContact O-N 3Å
255K63.3Low76.3Confident75 Ų7526.4 Ų26.433%0.32615%0.145SC..  trans-70-19.3-179.6-72.9159.2171.5-163.10113.7V2 E41 A42 D43 H253 G257V2-K255 HydrophobicContact CB-CG 4.26Å; V2-K255 HydrophobicContact CG1-CB 3.99Å; V2-K255 HydrophobicContact CG1-CG 3.45Å; V2-K255 VanDerWaalsContact CG1-CG 3.45Å; E41-K255 VanDerWaalsContact O-CD 3.27Å; E41-K255 WeakPolarHBondContact O-CD 3.47Å; E41-K255 WeakPolarHBondContact O-CE 3.24Å; E41-K255 PolarHBondContact O-NZ 3.3Å; A42-K255 HydrophobicContact CB-CB 4.29Å; A42-K255 VanDerWaalsContact O-CB 3.25Å; A42-K255 WeakPolarHBondContact O-CB 3.34Å; D43-K255 HydrophobicContact CB-CD 4.32Å; D43-K255 IonicContact OD1-NZ 2.83Å; D43-K255 PolarHBondContact OD1-NZ 2.98Å; D43-K255 WeakPolarHBondContact OD2-CD 3.47Å; D43-K255 WeakPolarHBondContact OD2-CE 3.49Å; D43-K255 IonicContact OD2-NZ 3.12Å; D43-K255 PolarHBondContact OD2-NZ 3.3Å; H253-K255 PolarHBondContact O-N 2.94Å; K255-G257 PolarHBondContact O-N 2.71Å; K255-G257 VanDerWaalsContact O-N 3.12Å
256G66.6Low75.7Confident5 Ų526.5 Ų26.55%0.05215%0.146CC..  trans74.9-11.3175.700000115A254 G258 A259A254-G256 PolarHBondContact O-N 3Å; G256-G258 PolarHBondContact O-N 3.33Å; G256-A259 WeakPolarHBondContact O-CB 3.1Å; G256-A259 PolarHBondContact O-N 3.04Å
257G67.4Low75.3Confident2 Ų233.1 Ų33.12%0.02118%0.176CC..Hα-helixtrans-64.3-20.8179.400000114.7A42 D43 K255 A259 L260 S261A42-G257 VanDerWaalsContact O-CA 3.25Å; A42-G257 WeakPolarHBondContact O-CA 3.08Å; A42-G257 PolarHBondContact O-N 3.39Å; D43-G257 CarbonylContact O-C 3.58Å; K255-G257 PolarHBondContact O-N 2.71Å; K255-G257 VanDerWaalsContact O-N 3.12Å; G257-A259 VanDerWaalsContact C-N 3.29Å; G257-A259 PolarHBondContact O-N 3.45Å; G257-L260 PolarHBondContact O-N 3.43Å; G257-S261 PolarHBondContact O-N 3.42Å; G257-S261 PolarHBondContact O-OG 3.23Å; G257-S261 VanDerWaalsContact O-OG 3.06Å
258G71Confident75.1Confident0 Ų033.2 Ų33.20%018%0.178CC..Hα-helixtrans-59.9-37.9170.500000112.5C229 G256 L260 S261 A262C229-G258 PolarHBondContact SG-O 3.27Å; G256-G258 PolarHBondContact O-N 3.33Å; G258-L260 PolarHBondContact O-N 3.12Å; G258-S261 CarbonylContact O-C 3.44Å; G258-S261 WeakPolarHBondContact O-CB 3.32Å; G258-S261 PolarHBondContact O-N 3.25Å; G258-S261 VanDerWaalsContact O-N 3.12Å; G258-A262 PolarHBondContact O-N 3.16Å
259A74.9Confident75.1Confident6 Ų633.3 Ų33.35%0.0518%0.178CC..Hα-helixtrans-61.5-43.7179.500000112.5V247 G256 G257 S261 A262 V263 I270V247-A259 HydrophobicContact CB-CB 4.44Å; V247-A259 HydrophobicContact CG1-CB 4Å; V247-A259 HydrophobicContact CG2-CB 3.61Å; G256-A259 WeakPolarHBondContact O-CB 3.1Å; G256-A259 PolarHBondContact O-N 3.04Å; G257-A259 VanDerWaalsContact C-N 3.29Å; G257-A259 PolarHBondContact O-N 3.45Å; A259-S261 VanDerWaalsContact C-N 3.27Å; A259-S261 PolarHBondContact O-N 2.99Å; A259-A262 PolarHBondContact O-N 2.69Å; A259-V263 PolarHBondContact O-N 3.38Å; A259-V263 VanDerWaalsContact O-N 3.11Å; A259-I270 HydrophobicContact CB-CD1 4.27Å
260L74Confident75.3Confident12 Ų1229.7 Ų29.76%0.06316%0.163CC..Hα-helixtrans-60.9-41.4175.6-58.6-178.9000110.9V44 V87 G257 G258 A262 V263 A264V44-L260 HydrophobicContact CG1-CD1 4.26Å; V44-L260 HydrophobicContact CG2-CD1 3.84Å; V87-L260 HydrophobicContact CB-CD2 4.07Å; V87-L260 HydrophobicContact CG1-CD2 4.29Å; V87-L260 HydrophobicContact CG2-CD2 3.21Å; G257-L260 PolarHBondContact O-N 3.43Å; G258-L260 PolarHBondContact O-N 3.12Å; L260-A262 PolarHBondContact O-N 2.96Å; L260-V263 PolarHBondContact O-N 2.93Å; L260-A264 PolarHBondContact O-N 3.32Å; L260-A264 VanDerWaalsContact O-N 3.13Å
261S74.8Confident75.8Confident1 Ų129.5 Ų29.51%0.00716%0.162CC..Hα-helixtrans-68.3-33.7178.9-52.50000112N45 G257 G258 A259 A265N45-S261 PolarHBondContact N-OG 3.18Å; G257-S261 PolarHBondContact O-N 3.42Å; G257-S261 PolarHBondContact O-OG 3.23Å; G257-S261 VanDerWaalsContact O-OG 3.06Å; G258-S261 CarbonylContact O-C 3.44Å; G258-S261 WeakPolarHBondContact O-CB 3.32Å; G258-S261 PolarHBondContact O-N 3.25Å; G258-S261 VanDerWaalsContact O-N 3.12Å; A259-S261 VanDerWaalsContact C-N 3.27Å; A259-S261 PolarHBondContact O-N 2.99Å; S261-A265 VanDerWaalsContact O-CB 3.23Å; S261-A265 WeakPolarHBondContact O-CB 3.46Å; S261-A265 PolarHBondContact O-N 3.48Å
262A75.9Confident76.5Confident0 Ų026.2 Ų26.20%015%0.145CC..Hα-helixtrans-67.1-42.8174.300000112.9L221 C229 A233 V245 G258 A259 L260 A264 A265 T266L221-A262 HydrophobicContact CD2-CB 3.65Å; C229-A262 VanDerWaalsContact SG-CB 3.54Å; A233-A262 HydrophobicContact CB-CB 4.32Å; V245-A262 HydrophobicContact CG1-CB 4.47Å; G258-A262 PolarHBondContact O-N 3.16Å; A259-A262 PolarHBondContact O-N 2.69Å; L260-A262 PolarHBondContact O-N 2.96Å; A262-A264 VanDerWaalsContact C-N 3.32Å; A262-A265 PolarHBondContact O-N 3.12Å; A262-T266 WeakPolarHBondContact O-CB 3.27Å; A262-T266 WeakPolarHBondContact O-CG2 3.18Å; A262-T266 PolarHBondContact O-N 3.32Å; A262-T266 PolarHBondContact O-OG1 3.49Å
263V77.9Confident77.4Confident5 Ų525.8 Ų25.83%0.0314%0.135CC..Hα-helixtrans-62-46.5177.9174.40000109.8V87 P89 A259 L260 A265 T266 H267 I270V87-V263 WeakPolarHBondContact O-CG1 3.34Å; P89-V263 HydrophobicContact CB-CG1 4.06Å; P89-V263 HydrophobicContact CG-CG1 4.01Å; A259-V263 PolarHBondContact O-N 3.38Å; A259-V263 VanDerWaalsContact O-N 3.11Å; L260-V263 PolarHBondContact O-N 2.93Å; V263-A265 VanDerWaalsContact C-N 3.26Å; V263-A265 PolarHBondContact O-N 3.29Å; V263-T266 PolarHBondContact O-N 2.85Å; V263-H267 WeakPolarHBondContact O-CA 3.4Å; V263-H267 PolarHBondContact O-N 3.12Å; V263-I270 HydrophobicContact CG2-CD1 3.5Å; V263-I270 HydrophobicContact CG2-CG1 3.47Å; V263-I270 VanDerWaalsContact CG2-CG1 3.47Å
264A75.5Confident78.5Confident34 Ų3417.8 Ų17.828%0.28110%0.099SC..Hα-helixtrans-60.9-36.8177.900000112.4L48 L260 A262 H267L48-A264 HydrophobicContact CD1-CB 3.65Å; L48-A264 HydrophobicContact CD2-CB 3.8Å; L48-A264 HydrophobicContact CG-CB 4.33Å; L260-A264 PolarHBondContact O-N 3.32Å; L260-A264 VanDerWaalsContact O-N 3.13Å; A262-A264 VanDerWaalsContact C-N 3.32Å; A264-H267 PolarHBondContact O-CE1 3.49Å
265A78Confident79.6Confident16 Ų1618.6 Ų18.613%0.13210%0.103CC..Hα-helixtrans-80-30.5-177.500000114.7E230 A233 S261 A262 V263E230-A265 HydrophobicContact CB-CB 4.39Å; E230-A265 HydrophobicContact CG-CB 3.93Å; A233-A265 HydrophobicContact CB-CB 4.09Å; S261-A265 VanDerWaalsContact O-CB 3.23Å; S261-A265 WeakPolarHBondContact O-CB 3.46Å; S261-A265 PolarHBondContact O-N 3.48Å; A262-A265 PolarHBondContact O-N 3.12Å; V263-A265 VanDerWaalsContact C-N 3.26Å; V263-A265 PolarHBondContact O-N 3.29Å
266T79.9Confident80.7Confident2 Ų215.7 Ų15.71%0.01210%0.095CC..Hα-helixtrans-101.3-21-174.857.40000113.1A233 K237 A262 V263 S268A233-T266 HydrophobicContact CB-CG2 3.56Å; K237-T266 HydrophobicContact CB-CG2 4.42Å; A262-T266 WeakPolarHBondContact O-CB 3.27Å; A262-T266 WeakPolarHBondContact O-CG2 3.18Å; A262-T266 PolarHBondContact O-N 3.32Å; A262-T266 PolarHBondContact O-OG1 3.49Å; V263-T266 PolarHBondContact O-N 2.85Å; T266-S268 PolarHBondContact O-N 3.48Å; T266-S268 PolarHBondContact O-OG 2.72Å; T266-S268 PolarHBondContact OG1-N 3.04Å
267H83.2Confident81.6Confident138 Ų13823.6 Ų23.664%0.63913%0.13SC*.  trans54.522.5-166.8-56.6-68.5000113.2V263 A264V263-H267 WeakPolarHBondContact O-CA 3.4Å; V263-H267 PolarHBondContact O-N 3.12Å; A264-H267 PolarHBondContact O-CE1 3.49Å
268S85.6Confident82.6Confident5 Ų529.9 Ų29.94%0.03516%0.159CC..  trans-106.5138.8-178.1-60.80000110.3V242 T266V242-S268 PolarHBondContact O-OG 3.38Å; T266-S268 PolarHBondContact O-N 3.48Å; T266-S268 PolarHBondContact O-OG 2.72Å; T266-S268 PolarHBondContact OG1-N 3.04Å
269P89.6Confident83.4Confident11 Ų1132 Ų327%0.07117%0.171CC..  trans-70.5144.5-178.128.6-33.8000111.5P89 V91 S244 V245 T271P89-P269 HydrophobicContact CG-CB 3.9Å; V91-P269 HydrophobicContact CB-CG 4.38Å; V91-P269 HydrophobicContact CG1-CG 4.33Å; S244-P269 WeakPolarHBondContact CA-O 3.28Å; S244-P269 WeakPolarHBondContact CB-O 3.38Å; V245-P269 PolarHBondContact N-O 3.18Å; P269-T271 PolarHBondContact O-N 3.1Å
270I89.5Confident83.9Confident12 Ų1237.5 Ų37.56%0.06220%0.196CC..EExtended strand (participates in β ladder)trans-73.9122.3166-59167.3000107.6V245 V247 A259 V263 I273 F285V245-I270 HydrophobicContact CB-CG1 4.26Å; V245-I270 HydrophobicContact CG1-CG1 4.48Å; V245-I270 CarbonylContact O-C 3.48Å; V245-I270 VanDerWaalsContact O-CA 3.24Å; V245-I270 WeakPolarHBondContact O-CA 3.43Å; V247-I270 HydrophobicContact CG2-CD1 3.98Å; V247-I270 HydrophobicContact CG2-CG1 4.29Å; V247-I270 HydrophobicContact CG2-CG2 4.09Å; A259-I270 HydrophobicContact CB-CD1 4.27Å; V263-I270 HydrophobicContact CG2-CD1 3.5Å; V263-I270 HydrophobicContact CG2-CG1 3.47Å; V263-I270 VanDerWaalsContact CG2-CG1 3.47Å; I270-I273 HydrophobicContact CG2-CG2 4.29Å; I270-F285 HydrophobicContact CB-CB 4.37Å; I270-F285 HydrophobicContact CB-CD1 3.53Å; I270-F285 HydrophobicContact CB-CE1 3.8Å; I270-F285 HydrophobicContact CB-CG 3.92Å; I270-F285 HydrophobicContact CB-CZ 4.42Å; I270-F285 HydrophobicContact CD1-CE1 4.07Å; I270-F285 HydrophobicContact CD1-CZ 4.01Å; I270-F285 HydrophobicContact CG1-CE1 4.46Å; I270-F285 HydrophobicContact CG2-CB 3.73Å; I270-F285 HydrophobicContact CG2-CD1 3.72Å; I270-F285 HydrophobicContact CG2-CD2 3.96Å; I270-F285 HydrophobicContact CG2-CE1 4.23Å; I270-F285 HydrophobicContact CG2-CE2 4.44Å; I270-F285 HydrophobicContact CG2-CG 3.53Å; I270-F285 WeakPolarHBondContact O-CD1 3.26Å
271T90.5Very high84.6Confident10 Ų1038.6 Ų38.66%0.06120%0.202CC..EExtended strand (participates in β ladder)trans-97.2-37.8-178.2470000112.5A93 S244 V245 P269 F285A93-T271 HydrophobicContact CB-CG2 3.87Å; S244-T271 VanDerWaalsContact CB-CG2 3.41Å; S244-T271 PolarHBondContact OG-OG1 2.89Å; V245-T271 PolarHBondContact O-N 2.68Å; V245-T271 PolarHBondContact O-OG1 3.34Å; P269-T271 PolarHBondContact O-N 3.1Å; T271-F285 PolarHBondContact O-N 3.06Å
272F92.1Very high85.3Confident9 Ų939.1 Ų39.14%0.03920%0.204CC..EExtended strand (participates in β ladder)trans-141.9159.9-179.1-62-89.7000112.6L121 F124 I246 V247 F282 E283 Q284L121-F272 HydrophobicContact CD1-CD2 4.01Å; L121-F272 HydrophobicContact CD1-CE2 3.68Å; L121-F272 HydrophobicContact CD1-CZ 4.04Å; F124-F272 AromaticContact CD1-CE1 3.82Å; F124-F272 HydrophobicContact CD1-CE1 3.82Å; F124-F272 HydrophobicContact CD1-CZ 4Å; F124-F272 HydrophobicContact CD2-CE1 4.41Å; F124-F272 AromaticContact CE1-CE1 3.48Å; F124-F272 HydrophobicContact CE1-CE1 3.48Å; F124-F272 VanDerWaalsContact CE1-CE1 3.48Å; F124-F272 AromaticContact CE1-CZ 3.66Å; F124-F272 HydrophobicContact CE1-CZ 3.66Å; F124-F272 HydrophobicContact CE2-CE1 4.12Å; F124-F272 HydrophobicContact CG-CE1 4.26Å; F124-F272 AromaticContact CZ-CE1 3.62Å; F124-F272 HydrophobicContact CZ-CE1 3.62Å; F124-F272 HydrophobicContact CZ-CZ 4.21Å; I246-F272 WeakPolarHBondContact CA-O 3.33Å; I246-F272 HydrophobicContact CD1-CB 4.16Å; I246-F272 HydrophobicContact CD1-CD2 4.13Å; I246-F272 HydrophobicContact CG1-CB 3.99Å; I246-F272 HydrophobicContact CG1-CD2 4.36Å; I246-F272 HydrophobicContact CG2-CB 4.33Å; V247-F272 PolarHBondContact N-O 2.85Å; F272-F282 HydrophobicContact CB-CD2 4.39Å; F272-F282 HydrophobicContact CB-CE1 3.81Å; F272-F282 HydrophobicContact CB-CE2 3.54Å; F272-F282 HydrophobicContact CB-CZ 3.2Å; F272-F282 AromaticContact CD1-CD1 3.96Å; F272-F282 HydrophobicContact CD1-CD1 3.96Å; F272-F282 AromaticContact CD1-CE1 3.32Å; F272-F282 HydrophobicContact CD1-CE1 3.32Å; F272-F282 AromaticContact CD1-CZ 3.7Å; F272-F282 HydrophobicContact CD1-CZ 3.7Å; F272-F282 HydrophobicContact CD2-CE1 4.15Å; F272-F282 AromaticContact CD2-CZ 3.93Å; F272-F282 HydrophobicContact CD2-CZ 3.93Å; F272-F282 AromaticContact CE1-CE1 3.87Å; F272-F282 HydrophobicContact CE1-CE1 3.87Å; F272-F282 HydrophobicContact CG-CD1 4.45Å; F272-F282 AromaticContact CG-CE1 3.5Å; F272-F282 HydrophobicContact CG-CE1 3.5Å; F272-F282 VanDerWaalsContact CG-CE1 3.5Å; F272-F282 HydrophobicContact CG-CE2 4.17Å; F272-F282 AromaticContact CG-CZ 3.34Å; F272-F282 HydrophobicContact CG-CZ 3.34Å; F272-F282 HydrophobicContact CZ-CE1 4.48Å; F272-E283 WeakPolarHBondContact CA-O 3.03Å; F272-Q284 HydrophobicContact CD1-CB 4.29Å; F272-Q284 HydrophobicContact CE1-CB 4.16Å; F272-Q284 HydrophobicContact CE1-CG 4.4Å
273I89.5Confident85.8Confident18 Ų1841.2 Ų41.29%0.09221%0.214CC..EExtended strand (participates in β ladder)trans-127.6137172.356171.8000111.3V247 L250 I270 T275 E283 F285V247-I273 HydrophobicContact CB-CG2 4.3Å; V247-I273 CarbonylContact O-C 3.57Å; V247-I273 VanDerWaalsContact O-CA 3.31Å; V247-I273 WeakPolarHBondContact O-CA 3.28Å; L250-I273 HydrophobicContact CD1-CB 3.66Å; L250-I273 HydrophobicContact CD1-CD1 4.09Å; L250-I273 HydrophobicContact CD1-CG1 4.44Å; L250-I273 HydrophobicContact CD1-CG2 3.66Å; I270-I273 HydrophobicContact CG2-CG2 4.29Å; I273-T275 HydrophobicContact CD1-CG2 4.04Å; I273-T275 HydrophobicContact CG1-CG2 4.2Å; I273-E283 HydrophobicContact CD1-CB 4.44Å; I273-E283 HydrophobicContact CG1-CB 4Å; I273-E283 PolarHBondContact N-O 2.8Å; I273-E283 PolarHBondContact O-N 2.82Å; I273-F285 HydrophobicContact CG2-CB 4.25Å; I273-F285 HydrophobicContact CG2-CD2 3.47Å; I273-F285 VanDerWaalsContact CG2-CD2 3.47Å; I273-F285 HydrophobicContact CG2-CE2 4.18Å; I273-F285 HydrophobicContact CG2-CG 4.23Å
274G88.5Confident86.3Confident3 Ų345.7 Ų45.73%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-95.3116171.500000110.6V247 K249 L250V247-G274 PolarHBondContact O-N 3.38Å; K249-G274 PolarHBondContact N-O 3.45Å; L250-G274 PolarHBondContact N-O 2.96Å; L250-G274 VanDerWaalsContact N-O 3.12Å
275T84.7Confident86.8Confident27 Ų2744.9 Ų44.917%0.16623%0.225CC..  trans-110.724.7-172.959.20000113.2D251 I273 D281D251-T275 WeakPolarHBondContact CB-O 3.43Å; I273-T275 HydrophobicContact CD1-CG2 4.04Å; I273-T275 HydrophobicContact CG1-CG2 4.2Å; T275-D281 PolarHBondContact N-O 2.65Å; T275-D281 VanDerWaalsContact N-O 3.1Å
276G85.3Confident87Confident14 Ų1448.8 Ų48.814%0.14424%0.236CC..SBendtrans163.3-172.8-17600000112.6K120 D251 D281K120-G276 PolarHBondContact NZ-O 3.07Å; D251-G276 VanDerWaalsContact CG-CA 3.49Å; D251-G276 PolarHBondContact OD1-N 3.49Å; G276-D281 WeakPolarHBondContact CA-OD2 3.25Å
277E86.5Confident87.2Confident171 Ų17149.8 Ų49.880%0.79924%0.242SC*.SBendtrans-96.8-22.8-179.3-64.2-168.8159.900113.2D281E277-D281 PolarHBondContact N-OD2 3.43Å
278H86.7Confident87.1Confident133 Ų13348.3 Ų48.362%0.61624%0.236SC*.SBendtrans-71.1154-178-57.8-63.9000111.1K120 E280 D281K120-H278 WeakPolarHBondContact CE-O 3.43Å; K120-H278 PolarHBondContact NZ-O 3.5Å; H278-E280 PolarHBondContact O-N 3.25Å; H278-E280 VanDerWaalsContact O-N 3.15Å; H278-D281 VanDerWaalsContact CB-OD2 3.25Å; H278-D281 WeakPolarHBondContact CB-OD2 3.33Å; H278-D281 IonicContact CD2-OD2 3.04Å; H278-D281 PolarHBondContact CD2-OD2 2.72Å; H278-D281 IonicContact CG-OD2 3.78Å; H278-D281 PolarHBondContact N-OD2 2.92Å; H278-D281 WeakPolarHBondContact O-CB 3.41Å; H278-D281 PolarHBondContact O-N 3.22Å
279V88Confident86.7Confident44 Ų4448.8 Ų48.827%0.26724%0.239SC..THydrogen-bonded Turntrans-61.2-25.9-178.5-173.40000111.8T119 Y123 A155T119-V279 HydrophobicContact CG2-CG1 4.23Å; T119-V279 HydrophobicContact CG2-CG2 4.37Å; Y123-V279 VanDerWaalsContact CB-CG1 3.45Å; Y123-V279 HydrophobicContact CD1-CB 4.5Å; Y123-V279 HydrophobicContact CD1-CG1 3.56Å; Y123-V279 HydrophobicContact CD2-CG1 4.08Å; Y123-V279 HydrophobicContact CE1-CG1 4.29Å; Y123-V279 HydrophobicContact CG-CG1 3.42Å; Y123-V279 VanDerWaalsContact CG-CG1 3.42Å; A155-V279 HydrophobicContact CB-CG1 4.34Å
280E86.4Confident86.2Confident123 Ų12349.7 Ų49.758%0.57524%0.242SC*.THydrogen-bonded Turntrans-83.1-14.9177.5-65.3175.6-166.800113.8Y123 H278 F282Y123-E280 HydrophobicContact CE1-CG 3.95Å; H278-E280 PolarHBondContact O-N 3.25Å; H278-E280 VanDerWaalsContact O-N 3.15Å; E280-F282 PolarHBondContact O-N 3.34Å
281D88.1Confident85.7Confident34 Ų3449.2 Ų49.218%0.18224%0.239CC..  trans-80.157.9-177.6-58.9-29.5000111K120 T275 G276 E277 H278K120-D281 PolarHBondContact NZ-O 3.34Å; T275-D281 PolarHBondContact N-O 2.65Å; T275-D281 VanDerWaalsContact N-O 3.1Å; G276-D281 WeakPolarHBondContact CA-OD2 3.25Å; E277-D281 PolarHBondContact N-OD2 3.43Å; H278-D281 VanDerWaalsContact CB-OD2 3.25Å; H278-D281 WeakPolarHBondContact CB-OD2 3.33Å; H278-D281 IonicContact CD2-OD2 3.04Å; H278-D281 PolarHBondContact CD2-OD2 2.72Å; H278-D281 IonicContact CG-OD2 3.78Å; H278-D281 PolarHBondContact N-OD2 2.92Å; H278-D281 WeakPolarHBondContact O-CB 3.41Å; H278-D281 PolarHBondContact O-N 3.22Å
282F90.5Very high85Confident13 Ų1350.9 Ų50.96%0.05725%0.246CC..EExtended strand (participates in β ladder)trans-145.3114.5-175-166.1-115.1000110.3T117 K120 L121 F124 I246 F272 E280T117-F282 HydrophobicContact CG2-CE2 4.1Å; T117-F282 HydrophobicContact CG2-CZ 4.43Å; K120-F282 HydrophobicContact CB-CB 3.84Å; K120-F282 HydrophobicContact CB-CD1 4.1Å; K120-F282 HydrophobicContact CB-CD2 3.86Å; K120-F282 HydrophobicContact CB-CE2 4.4Å; K120-F282 HydrophobicContact CB-CG 3.68Å; K120-F282 HydrophobicContact CD-CB 4.09Å; K120-F282 HydrophobicContact CD-CD2 4.03Å; K120-F282 HydrophobicContact CD-CG 4.33Å; K120-F282 HydrophobicContact CG-CB 4.2Å; K120-F282 HydrophobicContact CG-CG 4.46Å; L121-F282 HydrophobicContact CB-CE1 4.2Å; L121-F282 HydrophobicContact CB-CZ 4.27Å; L121-F282 HydrophobicContact CD1-CE1 3.79Å; L121-F282 HydrophobicContact CD1-CZ 4.01Å; F124-F282 HydrophobicContact CB-CD1 4.04Å; F124-F282 HydrophobicContact CB-CE1 4.38Å; F124-F282 HydrophobicContact CG-CD1 4.4Å; I246-F282 HydrophobicContact CD1-CE2 4.36Å; I246-F282 HydrophobicContact CD1-CZ 3.96Å; I246-F282 HydrophobicContact CG2-CE2 4.02Å; F272-F282 HydrophobicContact CB-CD2 4.39Å; F272-F282 HydrophobicContact CB-CE1 3.81Å; F272-F282 HydrophobicContact CB-CE2 3.54Å; F272-F282 HydrophobicContact CB-CZ 3.2Å; F272-F282 AromaticContact CD1-CD1 3.96Å; F272-F282 HydrophobicContact CD1-CD1 3.96Å; F272-F282 AromaticContact CD1-CE1 3.32Å; F272-F282 HydrophobicContact CD1-CE1 3.32Å; F272-F282 AromaticContact CD1-CZ 3.7Å; F272-F282 HydrophobicContact CD1-CZ 3.7Å; F272-F282 HydrophobicContact CD2-CE1 4.15Å; F272-F282 AromaticContact CD2-CZ 3.93Å; F272-F282 HydrophobicContact CD2-CZ 3.93Å; F272-F282 AromaticContact CE1-CE1 3.87Å; F272-F282 HydrophobicContact CE1-CE1 3.87Å; F272-F282 HydrophobicContact CG-CD1 4.45Å; F272-F282 AromaticContact CG-CE1 3.5Å; F272-F282 HydrophobicContact CG-CE1 3.5Å; F272-F282 VanDerWaalsContact CG-CE1 3.5Å; F272-F282 HydrophobicContact CG-CE2 4.17Å; F272-F282 AromaticContact CG-CZ 3.34Å; F272-F282 HydrophobicContact CG-CZ 3.34Å; F272-F282 HydrophobicContact CZ-CE1 4.48Å; E280-F282 PolarHBondContact O-N 3.34Å
283E86.3Confident83.9Confident43 Ų4355.3 Ų55.320%0.20127%0.266CS..EExtended strand (participates in β ladder)trans-121.2146.1-172.7-58.2-177.8-174.500110.6F272 I273 F285 R306 Q347F272-E283 WeakPolarHBondContact CA-O 3.03Å; I273-E283 HydrophobicContact CD1-CB 4.44Å; I273-E283 HydrophobicContact CG1-CB 4Å; I273-E283 PolarHBondContact N-O 2.8Å; I273-E283 PolarHBondContact O-N 2.82Å; E283-F285 PolarHBondContact O-N 3.34Å; E283-R306 IonicContact OE1-CZ 2.68Å; E283-R306 IonicContact OE1-NH1 3.94Å; E283-R306 IonicContact OE1-NH2 2.96Å; E283-R306 PolarHBondContact OE1-NH2 3.47Å; E283-R306 IonicContact OE2-NH2 3.95Å; E283-R306 PolarHBondContact OE2-NH2 3.4Å; E283-Q347 PolarHBondContact OE1-OE1 3.28Å
284Q88.3Confident83Confident99 Ų9955.2 Ų55.246%0.46327%0.265SS..EExtended strand (participates in β ladder)trans-69.6129.8172.1-173.1170.718.900109.3F272F272-Q284 HydrophobicContact CD1-CB 4.29Å; F272-Q284 HydrophobicContact CE1-CB 4.16Å; F272-Q284 HydrophobicContact CE1-CG 4.4Å
285F86.3Confident82Confident18 Ų1855.3 Ų55.38%0.07927%0.265CS..  trans-77.3131-178.8-174.3-103.5000110.8V87 I270 T271 I273 E283 V287 F290V87-F285 HydrophobicContact CG1-CE1 3.75Å; V87-F285 HydrophobicContact CG1-CZ 3.55Å; I270-F285 HydrophobicContact CB-CB 4.37Å; I270-F285 HydrophobicContact CB-CD1 3.53Å; I270-F285 HydrophobicContact CB-CE1 3.8Å; I270-F285 HydrophobicContact CB-CG 3.92Å; I270-F285 HydrophobicContact CB-CZ 4.42Å; I270-F285 HydrophobicContact CD1-CE1 4.07Å; I270-F285 HydrophobicContact CD1-CZ 4.01Å; I270-F285 HydrophobicContact CG1-CE1 4.46Å; I270-F285 HydrophobicContact CG2-CB 3.73Å; I270-F285 HydrophobicContact CG2-CD1 3.72Å; I270-F285 HydrophobicContact CG2-CD2 3.96Å; I270-F285 HydrophobicContact CG2-CE1 4.23Å; I270-F285 HydrophobicContact CG2-CE2 4.44Å; I270-F285 HydrophobicContact CG2-CG 3.53Å; I270-F285 WeakPolarHBondContact O-CD1 3.26Å; T271-F285 PolarHBondContact O-N 3.06Å; I273-F285 HydrophobicContact CG2-CB 4.25Å; I273-F285 HydrophobicContact CG2-CD2 3.47Å; I273-F285 VanDerWaalsContact CG2-CD2 3.47Å; I273-F285 HydrophobicContact CG2-CE2 4.18Å; I273-F285 HydrophobicContact CG2-CG 4.23Å; E283-F285 PolarHBondContact O-N 3.34Å; F285-V287 HydrophobicContact CD1-CG2 4.45Å; F285-V287 HydrophobicContact CE1-CB 4.5Å; F285-V287 HydrophobicContact CE1-CG2 3.86Å; F285-F290 HydrophobicContact CD2-CB 4.44Å; F285-F290 HydrophobicContact CD2-CD2 4.44Å; F285-F290 HydrophobicContact CD2-CG 4.48Å; F285-F290 HydrophobicContact CE2-CB 3.65Å; F285-F290 AromaticContact CE2-CD1 3.89Å; F285-F290 HydrophobicContact CE2-CD1 3.89Å; F285-F290 AromaticContact CE2-CD2 3.63Å; F285-F290 HydrophobicContact CE2-CD2 3.63Å; F285-F290 HydrophobicContact CE2-CE1 4.45Å; F285-F290 HydrophobicContact CE2-CE2 4.21Å; F285-F290 AromaticContact CE2-CG 3.43Å; F285-F290 HydrophobicContact CE2-CG 3.43Å; F285-F290 VanDerWaalsContact CE2-CG 3.43Å; F285-F290 HydrophobicContact CZ-CB 3.95Å; F285-F290 AromaticContact CZ-CD1 3.92Å; F285-F290 HydrophobicContact CZ-CD1 3.92Å; F285-F290 HydrophobicContact CZ-CD2 4.46Å; F285-F290 AromaticContact CZ-CG 3.85Å; F285-F290 HydrophobicContact CZ-CG 3.85Å
286R82.1Confident81Confident97 Ų9756 Ų5637%0.36628%0.278SS..  trans-128.9125.6170.6-62.5-174.6179.4-169.35.1108.5Q288 P289 F290 E305R286-Q288 PolarHBondContact O-N 2.95Å; R286-P289 HydrophobicContact CB-CB 4.34Å; R286-P289 HydrophobicContact CB-CG 3.75Å; R286-F290 WeakPolarHBondContact O-CB 3.48Å; R286-F290 PolarHBondContact O-N 2.96Å; R286-F290 VanDerWaalsContact O-N 3.09Å; R286-E305 IonicContact CZ-OE1 2.72Å; R286-E305 IonicContact CZ-OE2 3.89Å; R286-E305 IonicContact NE-OE2 3.47Å; R286-E305 IonicContact NH1-OE1 2.7Å; R286-E305 PolarHBondContact NH1-OE1 3.32Å; R286-E305 IonicContact NH1-OE2 3.48Å; R286-E305 PolarHBondContact NH1-OE2 3.34Å; R286-E305 VanDerWaalsContact NH1-OE2 3.12Å; R286-E305 IonicContact NH2-OE1 3.61Å; R286-E305 PolarHBondContact NH2-OE1 3.25Å; R286-E305 IonicContact NH2-OE2 3.47Å; R286-E305 PolarHBondContact NH2-OE2 3.46Å
287V83.3Confident80Confident24 Ų2460.4 Ų60.415%0.14530%0.297CS..Hα-helixtrans-61.3-50-172.2-177.40000111.4V84 V87 D88 F285 F290 V291V84-V287 HydrophobicContact CB-CG1 4.36Å; V84-V287 HydrophobicContact CG1-CG1 3.88Å; V84-V287 HydrophobicContact CG2-CG1 4.45Å; V87-V287 HydrophobicContact CB-CG1 3.7Å; V87-V287 HydrophobicContact CG1-CB 4.49Å; V87-V287 HydrophobicContact CG1-CG1 3.77Å; V87-V287 HydrophobicContact CG1-CG2 4.27Å; D88-V287 HydrophobicContact CB-CG1 4.16Å; D88-V287 HydrophobicContact CB-CG2 4.03Å; F285-V287 HydrophobicContact CD1-CG2 4.45Å; F285-V287 HydrophobicContact CE1-CB 4.5Å; F285-V287 HydrophobicContact CE1-CG2 3.86Å; V287-F290 PolarHBondContact O-N 3.43Å; V287-V291 HydrophobicContact CG1-CG2 4.27Å; V287-V291 WeakPolarHBondContact O-CG2 3.48Å; V287-V291 PolarHBondContact O-N 3.5Å
288Q81.5Confident78.7Confident106 Ų10652.6 Ų52.650%0.49526%0.263SS..Hα-helixtrans-62.3-53.3-175.8-71.3-175.714.800112.7R286 F290 V291 Q292R286-Q288 PolarHBondContact O-N 2.95Å; Q288-F290 VanDerWaalsContact C-N 3.27Å; Q288-F290 PolarHBondContact O-N 3.26Å; Q288-V291 PolarHBondContact O-N 3Å; Q288-Q292 WeakPolarHBondContact O-CB 3.36Å; Q288-Q292 VanDerWaalsContact O-CG 3.3Å; Q288-Q292 WeakPolarHBondContact O-CG 3.15Å; Q288-Q292 PolarHBondContact O-N 3.4Å
289P77.1Confident77.7Confident16 Ų1647.6 Ų47.610%0.10424%0.241CC..Hα-helixtrans-53.6-40.7172.2-33.539.1000114.2R286 Q292 K293R286-P289 HydrophobicContact CB-CB 4.34Å; R286-P289 HydrophobicContact CB-CG 3.75Å; P289-Q292 PolarHBondContact O-N 2.89Å; P289-K293 VanDerWaalsContact O-CB 3.24Å; P289-K293 WeakPolarHBondContact O-CB 3.5Å; P289-K293 PolarHBondContact O-N 3.3Å
290F78.3Confident76.3Confident30 Ų3050.3 Ų50.313%0.13225%0.253CS..Hα-helixtrans-63.3-46.7178.7-178.8-99.9000111.7L3 F285 R286 V287 Q288 K293 L294L3-F290 HydrophobicContact CD1-CE2 4.01Å; L3-F290 HydrophobicContact CD1-CZ 4.19Å; L3-F290 HydrophobicContact CD2-CZ 3.96Å; F285-F290 HydrophobicContact CD2-CB 4.44Å; F285-F290 HydrophobicContact CD2-CD2 4.44Å; F285-F290 HydrophobicContact CD2-CG 4.48Å; F285-F290 HydrophobicContact CE2-CB 3.65Å; F285-F290 AromaticContact CE2-CD1 3.89Å; F285-F290 HydrophobicContact CE2-CD1 3.89Å; F285-F290 AromaticContact CE2-CD2 3.63Å; F285-F290 HydrophobicContact CE2-CD2 3.63Å; F285-F290 HydrophobicContact CE2-CE1 4.45Å; F285-F290 HydrophobicContact CE2-CE2 4.21Å; F285-F290 AromaticContact CE2-CG 3.43Å; F285-F290 HydrophobicContact CE2-CG 3.43Å; F285-F290 VanDerWaalsContact CE2-CG 3.43Å; F285-F290 HydrophobicContact CZ-CB 3.95Å; F285-F290 AromaticContact CZ-CD1 3.92Å; F285-F290 HydrophobicContact CZ-CD1 3.92Å; F285-F290 HydrophobicContact CZ-CD2 4.46Å; F285-F290 AromaticContact CZ-CG 3.85Å; F285-F290 HydrophobicContact CZ-CG 3.85Å; R286-F290 WeakPolarHBondContact O-CB 3.48Å; R286-F290 PolarHBondContact O-N 2.96Å; R286-F290 VanDerWaalsContact O-N 3.09Å; V287-F290 PolarHBondContact O-N 3.43Å; Q288-F290 VanDerWaalsContact C-N 3.27Å; Q288-F290 PolarHBondContact O-N 3.26Å; F290-K293 PolarHBondContact O-N 3.17Å; F290-L294 HydrophobicContact CE1-CD1 4.2Å; F290-L294 VanDerWaalsContact O-CB 3.32Å; F290-L294 WeakPolarHBondContact O-CB 3.46Å; F290-L294 PolarHBondContact O-N 3.43Å
291V79.5Confident75.1Confident2 Ų249.8 Ų49.81%0.01225%0.251CS..Hα-helixtrans-68.1-37.7177-1790000111.2F80 L83 V84 V87 V287 Q288 L294 L295F80-V291 HydrophobicContact CD2-CB 4.43Å; F80-V291 HydrophobicContact CD2-CG1 3.58Å; F80-V291 HydrophobicContact CE2-CB 3.9Å; F80-V291 HydrophobicContact CE2-CG1 3.55Å; F80-V291 HydrophobicContact CZ-CG1 4.47Å; L83-V291 HydrophobicContact CB-CG1 3.71Å; L83-V291 HydrophobicContact CD1-CG1 4.32Å; V84-V291 HydrophobicContact CG2-CB 4.04Å; V84-V291 HydrophobicContact CG2-CG1 4.15Å; V84-V291 HydrophobicContact CG2-CG2 3.92Å; V87-V291 HydrophobicContact CG2-CG2 4.05Å; V287-V291 HydrophobicContact CG1-CG2 4.27Å; V287-V291 WeakPolarHBondContact O-CG2 3.48Å; V287-V291 PolarHBondContact O-N 3.5Å; Q288-V291 PolarHBondContact O-N 3Å; V291-L294 CarbonylContact O-C 3.55Å; V291-L294 WeakPolarHBondContact O-CB 3.36Å; V291-L294 PolarHBondContact O-N 3.5Å; V291-L295 HydrophobicContact CG1-CG 4.45Å; V291-L295 WeakPolarHBondContact O-CG 2.96Å; V291-L295 PolarHBondContact O-N 2.87Å
292Q76.7Confident74Confident45 Ų4548.6 Ų48.621%0.2125%0.246CC..Hα-helixtrans-62.7-45.2175.3-75.2174.7-10.200111.9F80 Q288 P289 L294 L295 G296 L297F80-Q292 HydrophobicContact CE2-CG 3.69Å; F80-Q292 HydrophobicContact CZ-CG 3.85Å; Q288-Q292 WeakPolarHBondContact O-CB 3.36Å; Q288-Q292 VanDerWaalsContact O-CG 3.3Å; Q288-Q292 WeakPolarHBondContact O-CG 3.15Å; Q288-Q292 PolarHBondContact O-N 3.4Å; P289-Q292 PolarHBondContact O-N 2.89Å; Q292-L294 VanDerWaalsContact C-N 3.3Å; Q292-L294 PolarHBondContact O-N 3.22Å; Q292-L295 CarbonylContact O-C 3.55Å; Q292-L295 PolarHBondContact O-N 2.85Å; Q292-L295 VanDerWaalsContact O-N 3.15Å; Q292-G296 PolarHBondContact O-N 3.14Å; Q292-L297 PolarHBondContact O-N 3.49Å
293K69Low72.7Confident102 Ų10249.4 Ų49.444%0.44325%0.251SS..Hα-helixtrans-62.3-39.6174.6-170.7172.8-173.4171.90111.1P289 F290 G296P289-K293 VanDerWaalsContact O-CB 3.24Å; P289-K293 WeakPolarHBondContact O-CB 3.5Å; P289-K293 PolarHBondContact O-N 3.3Å; F290-K293 PolarHBondContact O-N 3.17Å; K293-G296 PolarHBondContact O-N 3.48Å; K293-G296 VanDerWaalsContact O-N 3.16Å
294L69.8Low71.6Confident15 Ų1551.6 Ų51.68%0.07927%0.267CS..Hα-helixtrans-63.3-40.3173.1-166155.3000111L3 L6 G7 I10 F290 V291 Q292 G296L3-L294 HydrophobicContact CD2-CD1 4.12Å; L6-L294 HydrophobicContact CD2-CD1 3.97Å; L6-L294 HydrophobicContact CD2-CD2 4.26Å; L6-L294 HydrophobicContact CD2-CG 4.3Å; L6-L294 HydrophobicContact CG-CD2 4.25Å; G7-L294 WeakPolarHBondContact CA-O 3.49Å; I10-L294 HydrophobicContact CD1-CD2 3.6Å; F290-L294 HydrophobicContact CE1-CD1 4.2Å; F290-L294 VanDerWaalsContact O-CB 3.32Å; F290-L294 WeakPolarHBondContact O-CB 3.46Å; F290-L294 PolarHBondContact O-N 3.43Å; V291-L294 CarbonylContact O-C 3.55Å; V291-L294 WeakPolarHBondContact O-CB 3.36Å; V291-L294 PolarHBondContact O-N 3.5Å; Q292-L294 VanDerWaalsContact C-N 3.3Å; Q292-L294 PolarHBondContact O-N 3.22Å; L294-G296 PolarHBondContact O-N 3.25Å
295L67.4Low70.7Confident5 Ų550.3 Ų50.33%0.02626%0.261CS..THydrogen-bonded Turntrans-78.31174.6-66.3-166.1000114.7I10 T11 L14 F80 L83 V291 Q292 L297I10-L295 HydrophobicContact CB-CD2 4.28Å; I10-L295 HydrophobicContact CG2-CD2 3.35Å; T11-L295 PolarHBondContact OG1-O 3.37Å; L14-L295 HydrophobicContact CD1-CD1 4.26Å; L14-L295 HydrophobicContact CD1-CD2 4Å; F80-L295 HydrophobicContact CB-CD1 4.14Å; F80-L295 HydrophobicContact CD2-CD1 3.56Å; F80-L295 HydrophobicContact CD2-CG 4.45Å; F80-L295 HydrophobicContact CE2-CD1 4.47Å; F80-L295 HydrophobicContact CG-CD1 4.33Å; L83-L295 HydrophobicContact CD1-CD2 3.79Å; L83-L295 HydrophobicContact CD1-CG 4.44Å; V291-L295 HydrophobicContact CG1-CG 4.45Å; V291-L295 WeakPolarHBondContact O-CG 2.96Å; V291-L295 PolarHBondContact O-N 2.87Å; Q292-L295 CarbonylContact O-C 3.55Å; Q292-L295 PolarHBondContact O-N 2.85Å; Q292-L295 VanDerWaalsContact O-N 3.15Å; L295-L297 HydrophobicContact CB-CD1 4Å; L295-L297 HydrophobicContact CB-CG 3.95Å; L295-L297 HydrophobicContact CD1-CD1 4.03Å; L295-L297 PolarHBondContact O-N 3.47Å
296G64.4Low69.6Low43 Ų4352.6 Ų52.644%0.44327%0.269SS..THydrogen-bonded Turntrans65.317.9-176.300000114.2Q292 K293 L294 G298Q292-G296 PolarHBondContact O-N 3.14Å; K293-G296 PolarHBondContact O-N 3.48Å; K293-G296 VanDerWaalsContact O-N 3.16Å; L294-G296 PolarHBondContact O-N 3.25Å; G296-G298 PolarHBondContact O-N 3.39Å
297L63Low68.6Low105 Ų10551 Ų5155%0.5527%0.27SS..  trans-81.12.4-178.7-68.1175.6000113.6Q292 L295Q292-L297 PolarHBondContact O-N 3.49Å; L295-L297 HydrophobicContact CB-CD1 4Å; L295-L297 HydrophobicContact CB-CG 3.95Å; L295-L297 HydrophobicContact CD1-CD1 4.03Å; L295-L297 PolarHBondContact O-N 3.47Å
298G59.2Low67.6Low7 Ų754.2 Ų54.27%0.07229%0.29CS..  trans71158.8-175.300000112.1G296 A351G296-G298 PolarHBondContact O-N 3.39Å; G298-A351 CarbonylContact C-O 3.59Å; G298-A351 VanDerWaalsContact CA-O 3.24Å; G298-A351 WeakPolarHBondContact CA-O 3.39Å
299D65.8Low66.7Low28 Ų2856 Ų5615%0.1530%0.299CS..  trans-120.381.2176.5175.718.1000108.2E301 G302 L303 A351D299-E301 VanDerWaalsContact C-N 3.28Å; D299-E301 PolarHBondContact O-N 2.84Å; D299-E301 PolarHBondContact OD1-N 2.94Å; D299-G302 PolarHBondContact OD1-N 3.39Å; D299-G302 WeakPolarHBondContact OD2-CA 3.22Å; D299-L303 WeakPolarHBondContact O-CB 3.3Å; D299-L303 PolarHBondContact O-N 3.06Å; D299-L303 VanDerWaalsContact O-N 3.16Å; D299-A351 HydrophobicContact CB-CB 4.49Å; D299-A351 PolarHBondContact N-O 3.36Å
300L58.8Low65.8Low102 Ų10258.5 Ų58.553%0.53431%0.311SS..Hα-helixtrans-66.8-32.7-179.5-67.7176.5000111.5V304 P353L300-V304 VanDerWaalsContact O-CG2 3.3Å; L300-V304 WeakPolarHBondContact O-CG2 3.32Å; L300-V304 PolarHBondContact O-N 3.14Å; L300-V304 VanDerWaalsContact O-N 3.07Å; L300-P353 HydrophobicContact CD2-CG 4.31Å
301E62.7Low64.7Low111 Ų11163.3 Ų63.352%0.51933%0.332SS..Hα-helixtrans-69.8-49.9-179-69.7-176.7176.400111.3D299 L303 V304 E305D299-E301 VanDerWaalsContact C-N 3.28Å; D299-E301 PolarHBondContact O-N 2.84Å; D299-E301 PolarHBondContact OD1-N 2.94Å; E301-L303 VanDerWaalsContact C-N 3.25Å; E301-L303 PolarHBondContact O-N 2.97Å; E301-V304 PolarHBondContact O-N 3.45Å; E301-V304 VanDerWaalsContact O-N 3.13Å; E301-E305 PolarHBondContact O-N 3.46Å
302G64.6Low63.3Low9 Ų967.1 Ų67.19%0.09335%0.352CS..Hα-helixtrans-63.5-31.8176.300000112.8D299 E305 R306D299-G302 PolarHBondContact OD1-N 3.39Å; D299-G302 WeakPolarHBondContact OD2-CA 3.22Å; G302-E305 PolarHBondContact O-N 3.01Å; G302-R306 WeakPolarHBondContact O-CG 3.5Å; G302-R306 PolarHBondContact O-N 3.06Å
303L62.2Low62.1Low30 Ų3072.6 Ų72.616%0.15738%0.382CS..Hα-helixtrans-62.5-47.6171.5178.364.9000111.6D299 E301 E305 R306 V307 V348 A351 I352D299-L303 WeakPolarHBondContact O-CB 3.3Å; D299-L303 PolarHBondContact O-N 3.06Å; D299-L303 VanDerWaalsContact O-N 3.16Å; E301-L303 VanDerWaalsContact C-N 3.25Å; E301-L303 PolarHBondContact O-N 2.97Å; L303-E305 VanDerWaalsContact C-N 3.34Å; L303-E305 PolarHBondContact O-N 3.23Å; L303-R306 PolarHBondContact O-N 3.06Å; L303-V307 HydrophobicContact CD1-CG2 4.3Å; L303-V307 WeakPolarHBondContact O-CB 3.1Å; L303-V307 VanDerWaalsContact O-CG2 3.25Å; L303-V307 WeakPolarHBondContact O-CG2 3.38Å; L303-V307 PolarHBondContact O-N 3.03Å; L303-V348 HydrophobicContact CD1-CB 4.33Å; L303-V348 HydrophobicContact CD1-CG1 3.42Å; L303-V348 VanDerWaalsContact CD1-CG1 3.42Å; L303-A351 HydrophobicContact CB-CB 4.16Å; L303-I352 HydrophobicContact CD2-CG1 4.11Å
304V64.4Low61.3Low90 Ų9074.1 Ų74.155%0.54539%0.391SS..Hα-helixtrans-60.9-45.3177.9170.50000110.3L300 E301 R306 V307 T308L300-V304 VanDerWaalsContact O-CG2 3.3Å; L300-V304 WeakPolarHBondContact O-CG2 3.32Å; L300-V304 PolarHBondContact O-N 3.14Å; L300-V304 VanDerWaalsContact O-N 3.07Å; E301-V304 PolarHBondContact O-N 3.45Å; E301-V304 VanDerWaalsContact O-N 3.13Å; V304-R306 PolarHBondContact O-N 3.03Å; V304-V307 PolarHBondContact O-N 3.25Å; V304-T308 HydrophobicContact CG1-CG2 4.34Å; V304-T308 WeakPolarHBondContact O-CG2 3.25Å; V304-T308 PolarHBondContact O-N 3.24Å; V304-T308 PolarHBondContact O-OG1 3.47Å
305E68.1Low60.6Low72 Ų7276.3 Ų76.334%0.33640%0.403SS..Hα-helixtrans-59.7-48.8178-73.3-174.6167.400112.4R286 E301 G302 L303 V307 T308 E309R286-E305 IonicContact CZ-OE1 2.72Å; R286-E305 IonicContact CZ-OE2 3.89Å; R286-E305 IonicContact NE-OE2 3.47Å; R286-E305 IonicContact NH1-OE1 2.7Å; R286-E305 PolarHBondContact NH1-OE1 3.32Å; R286-E305 IonicContact NH1-OE2 3.48Å; R286-E305 PolarHBondContact NH1-OE2 3.34Å; R286-E305 VanDerWaalsContact NH1-OE2 3.12Å; R286-E305 IonicContact NH2-OE1 3.61Å; R286-E305 PolarHBondContact NH2-OE1 3.25Å; R286-E305 IonicContact NH2-OE2 3.47Å; R286-E305 PolarHBondContact NH2-OE2 3.46Å; E301-E305 PolarHBondContact O-N 3.46Å; G302-E305 PolarHBondContact O-N 3.01Å; L303-E305 VanDerWaalsContact C-N 3.34Å; L303-E305 PolarHBondContact O-N 3.23Å; E305-V307 VanDerWaalsContact C-N 3.32Å; E305-V307 PolarHBondContact O-N 3.04Å; E305-T308 VanDerWaalsContact CA-OG1 3.3Å; E305-T308 WeakPolarHBondContact CA-OG1 3.24Å; E305-T308 PolarHBondContact O-N 2.85Å; E305-T308 VanDerWaalsContact O-N 3.14Å; E305-T308 PolarHBondContact O-OG1 3.23Å; E305-E309 WeakPolarHBondContact O-CG 3.43Å; E305-E309 PolarHBondContact O-N 2.61Å
306R63.7Low60.2Low65 Ų6582.2 Ų82.225%0.24543%0.43CS..Hα-helixtrans-59.9-42.5176.3-71.6178.5-167.7-149.11.2111.8E283 G302 L303 V304 T308 E309 L310E283-R306 IonicContact OE1-CZ 2.68Å; E283-R306 IonicContact OE1-NH1 3.94Å; E283-R306 IonicContact OE1-NH2 2.96Å; E283-R306 PolarHBondContact OE1-NH2 3.47Å; E283-R306 IonicContact OE2-NH2 3.95Å; E283-R306 PolarHBondContact OE2-NH2 3.4Å; G302-R306 WeakPolarHBondContact O-CG 3.5Å; G302-R306 PolarHBondContact O-N 3.06Å; L303-R306 PolarHBondContact O-N 3.06Å; V304-R306 PolarHBondContact O-N 3.03Å; R306-T308 VanDerWaalsContact C-N 3.32Å; R306-T308 PolarHBondContact O-N 3.44Å; R306-E309 PolarHBondContact O-N 2.91Å; R306-L310 WeakPolarHBondContact O-CB 3.43Å; R306-L310 WeakPolarHBondContact O-CD1 3.48Å; R306-L310 WeakPolarHBondContact O-CG 3.49Å; R306-L310 PolarHBondContact O-N 3.46Å
307V62.1Low60.1Low63 Ų6386.2 Ų86.238%0.38244%0.437SS..Hα-helixtrans-62.9-39.2176.8166.90000111.2L303 V304 E305 L310 L312L303-V307 HydrophobicContact CD1-CG2 4.3Å; L303-V307 WeakPolarHBondContact O-CB 3.1Å; L303-V307 VanDerWaalsContact O-CG2 3.25Å; L303-V307 WeakPolarHBondContact O-CG2 3.38Å; L303-V307 PolarHBondContact O-N 3.03Å; V304-V307 PolarHBondContact O-N 3.25Å; E305-V307 VanDerWaalsContact C-N 3.32Å; E305-V307 PolarHBondContact O-N 3.04Å; V307-L310 PolarHBondContact O-N 3.13Å; V307-L312 HydrophobicContact CG1-CD1 4.22Å
308T61.4Low59.8Low92 Ų9282 Ų8256%0.56442%0.415SS*.Hα-helixtrans-69.7-40175.7550000112.8V304 E305 R306 L310 K311V304-T308 HydrophobicContact CG1-CG2 4.34Å; V304-T308 WeakPolarHBondContact O-CG2 3.25Å; V304-T308 PolarHBondContact O-N 3.24Å; V304-T308 PolarHBondContact O-OG1 3.47Å; E305-T308 VanDerWaalsContact CA-OG1 3.3Å; E305-T308 WeakPolarHBondContact CA-OG1 3.24Å; E305-T308 PolarHBondContact O-N 2.85Å; E305-T308 VanDerWaalsContact O-N 3.14Å; E305-T308 PolarHBondContact O-OG1 3.23Å; R306-T308 VanDerWaalsContact C-N 3.32Å; R306-T308 PolarHBondContact O-N 3.44Å; T308-L310 PolarHBondContact O-N 3.49Å; T308-K311 PolarHBondContact O-N 3.39Å
309E63.1Low59.9Low144 Ų14484.2 Ų84.267%0.67343%0.427SS*.Hα-helixtrans-63.2-32.4175.8-76.7-171.9169.200112.2E305 R306 K311E305-E309 WeakPolarHBondContact O-CG 3.43Å; E305-E309 PolarHBondContact O-N 2.61Å; R306-E309 PolarHBondContact O-N 2.91Å; E309-K311 PolarHBondContact O-N 3.32Å
310L57.5Low59.8Low69 Ų6988.3 Ų88.336%0.36144%0.444SS..THydrogen-bonded Turntrans-71.9-5.6176.7-70.2164.9000113.2R306 V307 T308 L312 I342R306-L310 WeakPolarHBondContact O-CB 3.43Å; R306-L310 WeakPolarHBondContact O-CD1 3.48Å; R306-L310 WeakPolarHBondContact O-CG 3.49Å; R306-L310 PolarHBondContact O-N 3.46Å; V307-L310 PolarHBondContact O-N 3.13Å; T308-L310 PolarHBondContact O-N 3.49Å; L310-L312 HydrophobicContact CB-CD1 4.06Å; L310-L312 HydrophobicContact CB-CD2 4.32Å; L310-L312 HydrophobicContact CB-CG 3.73Å; L310-L312 HydrophobicContact CD1-CD1 4.17Å; L310-L312 PolarHBondContact O-N 2.89Å; L310-I342 HydrophobicContact CD1-CD1 3.92Å; L310-I342 HydrophobicContact CD1-CG1 3.7Å; L310-I342 HydrophobicContact CD2-CG1 4.2Å
311K56Low60Low131 Ų13186.9 Ų86.957%0.5743%0.433SS*.THydrogen-bonded Turntrans44.941.8-178.6-65.5178.7156.6-147.90112.5T308 E309 D313 E314T308-K311 PolarHBondContact O-N 3.39Å; E309-K311 PolarHBondContact O-N 3.32Å; K311-D313 PolarHBondContact O-N 2.96Å; K311-E314 HydrophobicContact CB-CG 4.43Å; K311-E314 WeakPolarHBondContact CD-OE1 3.14Å; K311-E314 IonicContact NZ-OE1 3.49Å; K311-E314 PolarHBondContact NZ-OE1 3.24Å; K311-E314 PolarHBondContact O-N 2.97Å; K311-E314 VanDerWaalsContact O-N 3.15Å
312L50Low59.9Low82 Ų8284.1 Ų84.143%0.42942%0.421SS..G310 helixtrans-63.7-10.6-175.5-70.3168.7000113V307 L310V307-L312 HydrophobicContact CG1-CD1 4.22Å; L310-L312 HydrophobicContact CB-CD1 4.06Å; L310-L312 HydrophobicContact CB-CD2 4.32Å; L310-L312 HydrophobicContact CB-CG 3.73Å; L310-L312 HydrophobicContact CD1-CD1 4.17Å; L310-L312 PolarHBondContact O-N 2.89Å
313D50.7Low59.7Low160 Ų16092.1 Ų92.186%0.85645%0.454SS*.G310 helixtrans-82.1-0.2176.8-76.9-30.7000115.2K311 N315K311-D313 PolarHBondContact O-N 2.96Å; D313-N315 VanDerWaalsContact C-N 3.35Å; D313-N315 PolarHBondContact O-N 3.36Å
314E51.8Low59.8Low134 Ų13497.8 Ų97.863%0.62648%0.479SS*.G310 helixtrans-85.27-177.9-74.9-178-17800115.3K311 E316K311-E314 HydrophobicContact CB-CG 4.43Å; K311-E314 WeakPolarHBondContact CD-OE1 3.14Å; K311-E314 IonicContact NZ-OE1 3.49Å; K311-E314 PolarHBondContact NZ-OE1 3.24Å; K311-E314 PolarHBondContact O-N 2.97Å; K311-E314 VanDerWaalsContact O-N 3.15Å; E314-E316 PolarHBondContact O-N 3.36Å
315N54.9Low59.8Low61 Ų6195.2 Ų95.233%0.32647%0.471SS..  trans-100.362.4174.5-86.4-28.3000113.3D313 E317 L318 V319D313-N315 VanDerWaalsContact C-N 3.35Å; D313-N315 PolarHBondContact O-N 3.36Å; N315-E317 PolarHBondContact O-N 3.46Å; N315-E317 VanDerWaalsContact O-N 3.16Å; N315-L318 HydrophobicContact CB-CB 3.96Å; N315-L318 HydrophobicContact CB-CD1 3.66Å; N315-L318 HydrophobicContact CB-CG 3.99Å; N315-L318 VanDerWaalsContact ND2-CD1 3.26Å; N315-L318 WeakPolarHBondContact ND2-CD1 3.29Å; N315-L318 PolarHBondContact O-N 3.18Å; N315-L318 VanDerWaalsContact O-N 3.1Å; N315-V319 PolarHBondContact O-N 2.89Å
316E60.1Low59.8Low128 Ų12893.5 Ų93.560%0.59847%0.465SS*.Hα-helixtrans-51.2-34.1165.3-81.1-158.2170.600111.8E314 V319 K320E314-E316 PolarHBondContact O-N 3.36Å; E316-V319 PolarHBondContact O-N 3.4Å; E316-K320 WeakPolarHBondContact O-CB 3.49Å; E316-K320 VanDerWaalsContact O-CG 3.31Å; E316-K320 WeakPolarHBondContact O-CG 3.21Å; E316-K320 PolarHBondContact O-N 2.99Å; E316-K320 IonicContact OE2-NZ 3.82Å; E316-K320 PolarHBondContact OE2-NZ 3.15Å
317E61.1Low60.3Low127 Ų12791 Ų9159%0.59346%0.457SS*.Hα-helixtrans-64.9-40.2178.4-65.7-162166.900112.9N315 V319 K320 K321N315-E317 PolarHBondContact O-N 3.46Å; N315-E317 VanDerWaalsContact O-N 3.16Å; E317-V319 VanDerWaalsContact C-N 3.34Å; E317-K320 PolarHBondContact O-N 3.48Å; E317-K321 WeakPolarHBondContact O-CB 3.43Å; E317-K321 VanDerWaalsContact O-CG 3.27Å; E317-K321 WeakPolarHBondContact O-CG 3.45Å; E317-K321 PolarHBondContact O-N 2.93Å
318L58.6Low61.3Low17 Ų1788.5 Ų88.59%0.08944%0.441CS..Hα-helixtrans-65.7-40.3174.2-79.2168.7000111N315 K320 K321 L322 N331N315-L318 HydrophobicContact CB-CB 3.96Å; N315-L318 HydrophobicContact CB-CD1 3.66Å; N315-L318 HydrophobicContact CB-CG 3.99Å; N315-L318 VanDerWaalsContact ND2-CD1 3.26Å; N315-L318 WeakPolarHBondContact ND2-CD1 3.29Å; N315-L318 PolarHBondContact O-N 3.18Å; N315-L318 VanDerWaalsContact O-N 3.1Å; L318-K320 VanDerWaalsContact C-N 3.31Å; L318-K320 PolarHBondContact O-N 3.36Å; L318-K321 PolarHBondContact O-N 3.09Å; L318-L322 WeakPolarHBondContact O-CB 3.46Å; L318-L322 WeakPolarHBondContact O-CG 3.23Å; L318-L322 PolarHBondContact O-N 2.82Å; L318-N331 HydrophobicContact CD2-CB 3.9Å
319V59.7Low62.5Low53 Ų5384.1 Ų84.132%0.32142%0.415SS..Hα-helixtrans-63.4-40.1176.4178.80000110.6N315 E316 E317 K323N315-V319 PolarHBondContact O-N 2.89Å; E316-V319 PolarHBondContact O-N 3.4Å; E317-V319 VanDerWaalsContact C-N 3.34Å; V319-K323 HydrophobicContact CG1-CD 4.42Å; V319-K323 WeakPolarHBondContact O-CB 3.3Å; V319-K323 VanDerWaalsContact O-CG 3.24Å; V319-K323 WeakPolarHBondContact O-CG 3.42Å; V319-K323 PolarHBondContact O-N 3.45Å
320K63.4Low63.5Low114 Ų11480.6 Ų80.650%0.49640%0.395SS..Hα-helixtrans-65.5-47.9175.2-73.9168.7-171.9158.20111.7E316 E317 L318 K323 Q324E316-K320 WeakPolarHBondContact O-CB 3.49Å; E316-K320 VanDerWaalsContact O-CG 3.31Å; E316-K320 WeakPolarHBondContact O-CG 3.21Å; E316-K320 PolarHBondContact O-N 2.99Å; E316-K320 IonicContact OE2-NZ 3.82Å; E316-K320 PolarHBondContact OE2-NZ 3.15Å; E317-K320 PolarHBondContact O-N 3.48Å; L318-K320 VanDerWaalsContact C-N 3.31Å; L318-K320 PolarHBondContact O-N 3.36Å; K320-K323 WeakPolarHBondContact O-CB 3.49Å; K320-K323 PolarHBondContact O-N 2.7Å; K320-Q324 WeakPolarHBondContact O-CG 3.48Å; K320-Q324 PolarHBondContact O-N 2.74Å; K320-Q324 VanDerWaalsContact O-N 3.15Å
321K63.5Low64.7Low73 Ų7377.3 Ų77.332%0.31738%0.378SS..Hα-helixtrans-65-39.2178.7-71.9174.4-177.6173.10112.4E317 L318 Q324 G325 V326E317-K321 WeakPolarHBondContact O-CB 3.43Å; E317-K321 VanDerWaalsContact O-CG 3.27Å; E317-K321 WeakPolarHBondContact O-CG 3.45Å; E317-K321 PolarHBondContact O-N 2.93Å; L318-K321 PolarHBondContact O-N 3.09Å; K321-Q324 CarbonylContact O-C 3.53Å; K321-Q324 WeakPolarHBondContact O-CB 3.33Å; K321-Q324 PolarHBondContact O-N 3.5Å; K321-G325 PolarHBondContact O-N 3.49Å; K321-V326 CarbonylContact C-O 3.56Å; K321-V326 PolarHBondContact O-N 2.78Å
322L60.8Low66.1Low52 Ų5271.1 Ų71.127%0.27235%0.351SS..Hα-helixtrans-67.5-38.3175.3-74.5172.8000112.8L318 Q324 G325 F327 V429L318-L322 WeakPolarHBondContact O-CB 3.46Å; L318-L322 WeakPolarHBondContact O-CG 3.23Å; L318-L322 PolarHBondContact O-N 2.82Å; L322-Q324 PolarHBondContact O-N 3.31Å; L322-G325 PolarHBondContact O-N 3.02Å; L322-F327 HydrophobicContact CD2-CD2 3.9Å; L322-V429 HydrophobicContact CD1-CG1 3.63Å; L322-V429 HydrophobicContact CD2-CG1 3.43Å; L322-V429 VanDerWaalsContact CD2-CG1 3.43Å; L322-V429 HydrophobicContact CG-CG1 4.18Å
323K60.8Low67.8Low178 Ų17869.5 Ų69.577%0.77434%0.339SS*.Hα-helixtrans-61.6-32.4172.2-79.5176.3177.8-174.70112V319 K320 G325V319-K323 HydrophobicContact CG1-CD 4.42Å; V319-K323 WeakPolarHBondContact O-CB 3.3Å; V319-K323 VanDerWaalsContact O-CG 3.24Å; V319-K323 WeakPolarHBondContact O-CG 3.42Å; V319-K323 PolarHBondContact O-N 3.45Å; K320-K323 WeakPolarHBondContact O-CB 3.49Å; K320-K323 PolarHBondContact O-N 2.7Å; K323-G325 PolarHBondContact O-N 2.9Å
324Q64Low69.4Low148 Ų14864.5 Ų64.569%0.69231%0.311SS*.THydrogen-bonded Turntrans-78.9-1.9174.1-67.4170.9-12.200113.1K320 K321 L322 V326K320-Q324 WeakPolarHBondContact O-CG 3.48Å; K320-Q324 PolarHBondContact O-N 2.74Å; K320-Q324 VanDerWaalsContact O-N 3.15Å; K321-Q324 CarbonylContact O-C 3.53Å; K321-Q324 WeakPolarHBondContact O-CB 3.33Å; K321-Q324 PolarHBondContact O-N 3.5Å; L322-Q324 PolarHBondContact O-N 3.31Å; Q324-V326 PolarHBondContact O-N 3.24Å
325G65.1Low70.7Confident36 Ų3660.6 Ų60.637%0.37129%0.293SS..THydrogen-bonded Turntrans76.14.8178.100000114.6K321 L322 K323 Y426K321-G325 PolarHBondContact O-N 3.49Å; L322-G325 PolarHBondContact O-N 3.02Å; K323-G325 PolarHBondContact O-N 2.9Å; G325-Y426 PolarHBondContact O-OH 3.29Å
326V67.5Low72Confident36 Ų3658.4 Ų58.422%0.21828%0.28CS..  trans-95.7118.4-177.1178.10000109.5K321 Q324 T328 D388K321-V326 CarbonylContact C-O 3.56Å; K321-V326 PolarHBondContact O-N 2.78Å; Q324-V326 PolarHBondContact O-N 3.24Å; V326-T328 HydrophobicContact CG1-CG2 3.8Å; V326-D388 WeakPolarHBondContact CG1-OD1 3.35Å
327F73.6Confident73Confident14 Ų1455.7 Ų55.76%0.06127%0.268CS..  trans-129.3102.9173.5-173.3-100.1000109.1L322 N331 M332 H422 F425 Y426 V429L322-F327 HydrophobicContact CD2-CD2 3.9Å; F327-N331 HydrophobicContact CD2-CB 3.94Å; F327-N331 HydrophobicContact CE2-CB 3.71Å; F327-N331 HydrophobicContact CZ-CB 4.23Å; F327-M332 HydrophobicContact CE1-CB 3.94Å; F327-M332 HydrophobicContact CZ-CB 3.96Å; F327-H422 AromaticContact CD1-CE1 3.44Å; F327-H422 VanDerWaalsContact CD1-CE1 3.44Å; F327-H422 WeakPolarHBondContact CD1-CE1 3.44Å; F327-H422 AromaticContact CD1-ND1 3.97Å; F327-H422 AromaticContact CE1-CE1 3.65Å; F327-H422 AromaticContact CE1-ND1 3.75Å; F327-H422 PolarHBondContact O-CE1 3.42Å; F327-H422 PolarHBondContact O-NE2 3.39Å; F327-F425 AromaticContact CE1-CD1 3.61Å; F327-F425 HydrophobicContact CE1-CD1 3.61Å; F327-F425 HydrophobicContact CE1-CE1 4.21Å; F327-F425 HydrophobicContact CE2-CD1 4.42Å; F327-F425 HydrophobicContact CE2-CE1 4.3Å; F327-F425 AromaticContact CZ-CD1 3.41Å; F327-F425 HydrophobicContact CZ-CD1 3.41Å; F327-F425 VanDerWaalsContact CZ-CD1 3.41Å; F327-F425 AromaticContact CZ-CE1 3.52Å; F327-F425 HydrophobicContact CZ-CE1 3.52Å; F327-Y426 HydrophobicContact CB-CD2 3.2Å; F327-Y426 HydrophobicContact CB-CE2 3.52Å; F327-Y426 HydrophobicContact CB-CG 4.24Å; F327-Y426 HydrophobicContact CD1-CD2 4.03Å; F327-Y426 HydrophobicContact CD1-CG 4.45Å; F327-Y426 AromaticContact CG-CD2 3.79Å; F327-Y426 HydrophobicContact CG-CD2 3.79Å; F327-V429 HydrophobicContact CD2-CG1 4.47Å; F327-V429 HydrophobicContact CE2-CG1 4.42Å; F327-V429 HydrophobicContact CE2-CG2 4.37Å; F327-V429 HydrophobicContact CZ-CG2 4.47Å
328T83.4Confident73.7Confident10 Ų1051.4 Ų51.46%0.06125%0.249CC..  trans-87.5168-175.367.20000111.4V326 R330 N331 M332 L385 D386 H422V326-T328 HydrophobicContact CG1-CG2 3.8Å; T328-R330 PolarHBondContact O-N 3.43Å; T328-N331 PolarHBondContact N-ND2 3.04Å; T328-N331 PolarHBondContact O-N 3.35Å; T328-N331 PolarHBondContact OG1-N 3.44Å; T328-N331 PolarHBondContact OG1-OD1 2.89Å; T328-M332 PolarHBondContact O-N 2.86Å; T328-L385 VanDerWaalsContact CB-O 3.28Å; T328-L385 WeakPolarHBondContact CB-O 3.36Å; T328-D386 WeakPolarHBondContact CG2-O 3.44Å; T328-H422 PolarHBondContact O-CE1 3.15Å
329L86Confident74.3Confident0 Ų052.9 Ų52.90%026%0.256CS..Hα-helixtrans-64.9-31.6172.8-76.6167.1000111.2M332 Y333 M380 L385 F394 L418 L419 H422L329-M332 HydrophobicContact CD2-CE 3.79Å; L329-M332 WeakPolarHBondContact O-CB 3.5Å; L329-M332 PolarHBondContact O-N 3.17Å; L329-Y333 PolarHBondContact O-N 2.83Å; L329-M380 HydrophobicContact CD1-CE 4.43Å; L329-M380 HydrophobicContact CD1-SD 3.78Å; L329-L385 HydrophobicContact CB-CD2 4.03Å; L329-L385 PolarHBondContact N-O 3.21Å; L329-L385 VanDerWaalsContact N-O 3.09Å; L329-F394 HydrophobicContact CD1-CE2 4.14Å; L329-L418 HydrophobicContact CD2-CD2 3.87Å; L329-L419 HydrophobicContact CD1-CD2 4.25Å; L329-H422 HydrophobicContact CD2-CB 3.86Å
330R86.1Confident74.9Confident69 Ų6951.9 Ų51.926%0.2625%0.249SC..Hα-helixtrans-60.4-44.1172.6-169.6173.3-58.5-87.52.3112.5T328 M332 Y333 E334 D382 L385 D386T328-R330 PolarHBondContact O-N 3.43Å; R330-M332 VanDerWaalsContact C-N 3.26Å; R330-M332 PolarHBondContact O-N 3.28Å; R330-Y333 WeakPolarHBondContact O-CA 3.33Å; R330-Y333 VanDerWaalsContact O-CB 3.32Å; R330-Y333 WeakPolarHBondContact O-CB 3.42Å; R330-Y333 PolarHBondContact O-N 3.13Å; R330-Y333 VanDerWaalsContact O-N 3.08Å; R330-E334 WeakPolarHBondContact O-CG 3.47Å; R330-E334 PolarHBondContact O-N 3.34Å; R330-D382 IonicContact CZ-OD1 3.71Å; R330-D382 IonicContact NH2-OD1 2.74Å; R330-D382 PolarHBondContact NH2-OD1 3.22Å; R330-L385 HydrophobicContact CB-CB 4.32Å; R330-L385 PolarHBondContact N-O 3.24Å; R330-D386 WeakPolarHBondContact CB-OD1 3.39Å; R330-D386 VanDerWaalsContact CD-OD1 3.24Å; R330-D386 WeakPolarHBondContact CD-OD1 3.32Å; R330-D386 IonicContact CZ-OD1 3.91Å; R330-D386 IonicContact CZ-OD2 2.88Å; R330-D386 VanDerWaalsContact NE-CG 3.27Å; R330-D386 IonicContact NE-OD1 3.92Å; R330-D386 PolarHBondContact NE-OD1 3.21Å; R330-D386 IonicContact NE-OD2 2.65Å; R330-D386 PolarHBondContact NE-OD2 2.89Å; R330-D386 IonicContact NH2-OD1 3.2Å; R330-D386 IonicContact NH2-OD2 2.69Å; R330-D386 PolarHBondContact NH2-OD2 3.32Å
331N82.6Confident75.1Confident1 Ų153.3 Ų53.31%0.00526%0.255CS..Hα-helixtrans-60.2-40.6175.8-63.7-14.3000110.9L318 F327 T328 E334 Q335L318-N331 HydrophobicContact CD2-CB 3.9Å; F327-N331 HydrophobicContact CD2-CB 3.94Å; F327-N331 HydrophobicContact CE2-CB 3.71Å; F327-N331 HydrophobicContact CZ-CB 4.23Å; T328-N331 PolarHBondContact N-ND2 3.04Å; T328-N331 PolarHBondContact O-N 3.35Å; T328-N331 PolarHBondContact OG1-N 3.44Å; T328-N331 PolarHBondContact OG1-OD1 2.89Å; N331-E334 PolarHBondContact O-N 2.96Å; N331-Q335 WeakPolarHBondContact O-CG 3.34Å; N331-Q335 PolarHBondContact O-N 3.06Å
332M84Confident75.1Confident1 Ų151.4 Ų51.41%0.00525%0.248CC..Hα-helixtrans-63.9-40.2175-169.2179.47600112F327 T328 L329 R330 Q335 F336 M377 L418 H422 F425F327-M332 HydrophobicContact CE1-CB 3.94Å; F327-M332 HydrophobicContact CZ-CB 3.96Å; T328-M332 PolarHBondContact O-N 2.86Å; L329-M332 HydrophobicContact CD2-CE 3.79Å; L329-M332 WeakPolarHBondContact O-CB 3.5Å; L329-M332 PolarHBondContact O-N 3.17Å; R330-M332 VanDerWaalsContact C-N 3.26Å; R330-M332 PolarHBondContact O-N 3.28Å; M332-Q335 PolarHBondContact O-N 3.39Å; M332-F336 HydrophobicContact CE-CE2 3.99Å; M332-F336 HydrophobicContact CE-CZ 4.25Å; M332-F336 HydrophobicContact CG-CD1 4.47Å; M332-F336 HydrophobicContact CG-CE1 4Å; M332-F336 HydrophobicContact CG-CE2 4.13Å; M332-F336 HydrophobicContact CG-CZ 3.8Å; M332-F336 WeakPolarHBondContact O-CG 3.43Å; M332-F336 PolarHBondContact O-N 2.95Å; M332-F336 HydrophobicContact SD-CE2 4.32Å; M332-F336 HydrophobicContact SD-CZ 3.98Å; M332-M377 HydrophobicContact CE-CE 3.96Å; M332-M377 HydrophobicContact CE-SD 3.53Å; M332-M377 VanDerWaalsContact CE-SD 3.53Å; M332-L418 HydrophobicContact CE-CD2 3.98Å; M332-L418 HydrophobicContact CE-CG 4.23Å; M332-H422 HydrophobicContact CE-CB 4.17Å; M332-H422 HydrophobicContact SD-CB 3.72Å; M332-F425 HydrophobicContact CG-CD1 4.32Å
333Y86.2Confident74.9Confident47 Ų4751.4 Ų51.418%0.18426%0.26CS..Hα-helixtrans-61.1-47.2175.7-175-91.6000111.9L329 R330 Q335 F336 Q337 M374 M377 D378L329-Y333 PolarHBondContact O-N 2.83Å; R330-Y333 WeakPolarHBondContact O-CA 3.33Å; R330-Y333 VanDerWaalsContact O-CB 3.32Å; R330-Y333 WeakPolarHBondContact O-CB 3.42Å; R330-Y333 PolarHBondContact O-N 3.13Å; R330-Y333 VanDerWaalsContact O-N 3.08Å; Y333-Q335 VanDerWaalsContact C-N 3.3Å; Y333-Q335 PolarHBondContact O-N 3.13Å; Y333-F336 PolarHBondContact O-N 3.28Å; Y333-F336 VanDerWaalsContact O-N 3.16Å; Y333-Q337 HydrophobicContact CD1-CG 4.16Å; Y333-Q337 VanDerWaalsContact CE1-CD 3.47Å; Y333-Q337 HydrophobicContact CE1-CG 3.94Å; Y333-Q337 PolarHBondContact O-N 3.22Å; Y333-M374 HydrophobicContact CD2-CB 4.35Å; Y333-M374 HydrophobicContact CD2-CE 4.45Å; Y333-M374 HydrophobicContact CD2-CG 4.1Å; Y333-M374 HydrophobicContact CE1-CE 4.2Å; Y333-M374 HydrophobicContact CE2-CB 3.83Å; Y333-M374 HydrophobicContact CE2-CE 3.74Å; Y333-M374 HydrophobicContact CE2-CG 3.94Å; Y333-M377 HydrophobicContact CD2-CB 3.78Å; Y333-M377 HydrophobicContact CD2-CE 3.77Å; Y333-M377 HydrophobicContact CD2-SD 4.09Å; Y333-M377 HydrophobicContact CE2-CB 4.29Å; Y333-M377 HydrophobicContact CG-CE 4.43Å; Y333-D378 WeakPolarHBondContact CE2-OD1 3.31Å; Y333-D378 VanDerWaalsContact CZ-OD1 3.3Å; Y333-D378 PolarHBondContact OH-OD1 3.31Å
334E83.6Confident74.9Confident55 Ų5544 Ų4426%0.25723%0.231SC..Hα-helixtrans-59.2-41.5174.6-70.3168.9-169.400111.6R330 N331 Q337 N338R330-E334 WeakPolarHBondContact O-CG 3.47Å; R330-E334 PolarHBondContact O-N 3.34Å; N331-E334 PolarHBondContact O-N 2.96Å; E334-Q337 PolarHBondContact O-N 3.24Å; E334-N338 WeakPolarHBondContact O-CB 3.37Å; E334-N338 PolarHBondContact O-N 3.47Å; E334-N338 PolarHBondContact O-ND2 3.05Å
335Q79.7Confident74.7Confident53 Ų5341.1 Ų41.125%0.24822%0.217CC..Hα-helixtrans-64.7-41.4175.2-66.4-39-78.400111.9N331 M332 Y333 Q337 N338 I339 F425N331-Q335 WeakPolarHBondContact O-CG 3.34Å; N331-Q335 PolarHBondContact O-N 3.06Å; M332-Q335 PolarHBondContact O-N 3.39Å; Y333-Q335 VanDerWaalsContact C-N 3.3Å; Y333-Q335 PolarHBondContact O-N 3.13Å; Q335-Q337 VanDerWaalsContact C-N 3.34Å; Q335-N338 PolarHBondContact O-N 3.15Å; Q335-I339 WeakPolarHBondContact O-CB 3.44Å; Q335-I339 WeakPolarHBondContact O-CD1 3.31Å; Q335-I339 VanDerWaalsContact O-CG1 3.22Å; Q335-I339 WeakPolarHBondContact O-CG1 3.41Å; Q335-I339 PolarHBondContact O-N 3.39Å; Q335-F425 HydrophobicContact CB-CE1 4.44Å; Q335-F425 HydrophobicContact CB-CZ 4.23Å; Q335-F425 HydrophobicContact CG-CE1 4.32Å; Q335-F425 HydrophobicContact CG-CZ 4.43Å
336F83.1Confident74.4Confident15 Ų1540.5 Ų40.57%0.06621%0.207CC..Hα-helixtrans-65-38.6175.8-72-2.3000111.9M332 Y333 I339 L340 L370 L373 M374 M377 F425M332-F336 HydrophobicContact CE-CE2 3.99Å; M332-F336 HydrophobicContact CE-CZ 4.25Å; M332-F336 HydrophobicContact CG-CD1 4.47Å; M332-F336 HydrophobicContact CG-CE1 4Å; M332-F336 HydrophobicContact CG-CE2 4.13Å; M332-F336 HydrophobicContact CG-CZ 3.8Å; M332-F336 WeakPolarHBondContact O-CG 3.43Å; M332-F336 PolarHBondContact O-N 2.95Å; M332-F336 HydrophobicContact SD-CE2 4.32Å; M332-F336 HydrophobicContact SD-CZ 3.98Å; Y333-F336 PolarHBondContact O-N 3.28Å; Y333-F336 VanDerWaalsContact O-N 3.16Å; F336-I339 HydrophobicContact CD1-CD1 4.4Å; F336-I339 PolarHBondContact O-N 2.95Å; F336-L340 WeakPolarHBondContact O-CB 3.43Å; F336-L340 WeakPolarHBondContact O-CG 3.26Å; F336-L340 PolarHBondContact O-N 3.25Å; F336-L370 HydrophobicContact CD1-CD2 3.93Å; F336-L370 HydrophobicContact CD2-CD2 4.17Å; F336-L370 HydrophobicContact CE1-CD2 4.01Å; F336-L370 HydrophobicContact CE2-CD2 4.27Å; F336-L370 HydrophobicContact CG-CD2 4.02Å; F336-L370 HydrophobicContact CZ-CD2 4.19Å; F336-L373 HydrophobicContact CD2-CB 4.33Å; F336-L373 HydrophobicContact CE2-CB 3.96Å; F336-L373 HydrophobicContact CE2-CD1 3.76Å; F336-L373 HydrophobicContact CZ-CD1 4.16Å; F336-M374 HydrophobicContact CB-CG 4.17Å; F336-M374 HydrophobicContact CB-SD 4.18Å; F336-M374 HydrophobicContact CD2-CG 4.43Å; F336-M377 HydrophobicContact CD2-CE 3.51Å; F336-M377 HydrophobicContact CE2-CE 3.84Å; F336-F425 HydrophobicContact CE1-CE2 4.43Å
337Q80.9Confident74Confident71 Ų7141 Ų4133%0.33221%0.207SC..Hα-helixtrans-60.7-45.6172.1-77.7-168.8-17.800111.8Y333 E334 Q335 I339 L340 K341 M374Y333-Q337 HydrophobicContact CD1-CG 4.16Å; Y333-Q337 VanDerWaalsContact CE1-CD 3.47Å; Y333-Q337 HydrophobicContact CE1-CG 3.94Å; Y333-Q337 PolarHBondContact O-N 3.22Å; E334-Q337 PolarHBondContact O-N 3.24Å; Q335-Q337 VanDerWaalsContact C-N 3.34Å; Q337-I339 VanDerWaalsContact C-N 3.33Å; Q337-I339 PolarHBondContact O-N 3.41Å; Q337-L340 PolarHBondContact O-N 3.5Å; Q337-K341 WeakPolarHBondContact O-CG 3.22Å; Q337-K341 PolarHBondContact O-N 3.45Å; Q337-M374 HydrophobicContact CG-CE 3.39Å; Q337-M374 HydrophobicContact CG-SD 4.28Å
338N75.4Confident73.5Confident36 Ų3641.7 Ų41.719%0.19321%0.212CC..Hα-helixtrans-64.3-40.1178.3-68.1-20000111.6E334 Q335 K341 I342E334-N338 WeakPolarHBondContact O-CB 3.37Å; E334-N338 PolarHBondContact O-N 3.47Å; E334-N338 PolarHBondContact O-ND2 3.05Å; Q335-N338 PolarHBondContact O-N 3.15Å; N338-K341 PolarHBondContact O-N 2.89Å; N338-I342 WeakPolarHBondContact O-CG1 3.27Å; N338-I342 PolarHBondContact O-N 3.04Å
339I71.3Confident72.5Confident49 Ų4942.8 Ų42.825%0.25122%0.217SC..Hα-helixtrans-63.7-40.9173.6-67.1163.7000110.9Q335 F336 Q337 K341 I342 L370Q335-I339 WeakPolarHBondContact O-CB 3.44Å; Q335-I339 WeakPolarHBondContact O-CD1 3.31Å; Q335-I339 VanDerWaalsContact O-CG1 3.22Å; Q335-I339 WeakPolarHBondContact O-CG1 3.41Å; Q335-I339 PolarHBondContact O-N 3.39Å; F336-I339 HydrophobicContact CD1-CD1 4.4Å; F336-I339 PolarHBondContact O-N 2.95Å; Q337-I339 VanDerWaalsContact C-N 3.33Å; Q337-I339 PolarHBondContact O-N 3.41Å; I339-K341 VanDerWaalsContact C-N 3.33Å; I339-K341 PolarHBondContact O-N 2.97Å; I339-I342 CarbonylContact O-C 3.42Å; I339-I342 WeakPolarHBondContact O-CB 3.49Å; I339-I342 PolarHBondContact O-N 3.49Å; I339-I342 VanDerWaalsContact O-N 3.15Å; I339-I342 VanDerWaalsContact O-O 3.12Å; I339-L370 HydrophobicContact CG2-CD1 3.71Å
340L72.1Confident71.3Confident32 Ų3244.8 Ų44.817%0.16823%0.231CC..Hα-helixtrans-70-27.7177.5-75.3178.2000113.6F336 Q337 I342 H367 L370 K371 M374F336-L340 WeakPolarHBondContact O-CB 3.43Å; F336-L340 WeakPolarHBondContact O-CG 3.26Å; F336-L340 PolarHBondContact O-N 3.25Å; Q337-L340 PolarHBondContact O-N 3.5Å; L340-I342 PolarHBondContact O-N 2.91Å; L340-H367 HydrophobicContact CD2-CB 4.31Å; L340-L370 HydrophobicContact CD2-CB 4.02Å; L340-L370 HydrophobicContact CD2-CD1 4.25Å; L340-L370 HydrophobicContact CG-CB 4.35Å; L340-K371 HydrophobicContact CD1-CG 3.86Å; L340-K371 HydrophobicContact CD2-CG 4.32Å; L340-M374 HydrophobicContact CD1-CE 4.41Å; L340-M374 HydrophobicContact CD1-SD 3.27Å; L340-M374 WeakPolarHBondContact CD1-SD 3.49Å; L340-M374 HydrophobicContact CG-SD 4.45Å
341K67.7Low70.2Confident144 Ų14442 Ų4263%0.62622%0.223SC*.Hα-helixtrans-67.2-26.3171.4-73.1172.7-175.3170.40111.7Q337 N338 I339 G343Q337-K341 WeakPolarHBondContact O-CG 3.22Å; Q337-K341 PolarHBondContact O-N 3.45Å; N338-K341 PolarHBondContact O-N 2.89Å; I339-K341 VanDerWaalsContact C-N 3.33Å; I339-K341 PolarHBondContact O-N 2.97Å; K341-G343 PolarHBondContact O-N 3.44Å
342I63.1Low69.2Low33 Ų3345.1 Ų45.117%0.16924%0.239CC..SBendtrans-77.981.4168-55.4170000105.9L310 N338 I339 L340 S344 V348L310-I342 HydrophobicContact CD1-CD1 3.92Å; L310-I342 HydrophobicContact CD1-CG1 3.7Å; L310-I342 HydrophobicContact CD2-CG1 4.2Å; N338-I342 WeakPolarHBondContact O-CG1 3.27Å; N338-I342 PolarHBondContact O-N 3.04Å; I339-I342 CarbonylContact O-C 3.42Å; I339-I342 WeakPolarHBondContact O-CB 3.49Å; I339-I342 PolarHBondContact O-N 3.49Å; I339-I342 VanDerWaalsContact O-N 3.15Å; I339-I342 VanDerWaalsContact O-O 3.12Å; L340-I342 PolarHBondContact O-N 2.91Å; I342-S344 PolarHBondContact O-N 2.97Å; I342-V348 HydrophobicContact CG2-CG2 3.63Å
343G57.5Low67.7Low51 Ų5148.1 Ų48.153%0.52626%0.259SS..SBendtrans-51.5-25.7-167.100000115.6K341 H367K341-G343 PolarHBondContact O-N 3.44Å; G343-H367 PolarHBondContact O-CE1 3.02Å; G343-H367 PolarHBondContact O-NE2 3.46Å
344S60Low66.4Low24 Ų2450 Ų5017%0.16829%0.292CS..  trans-13490.2174.554.30000110.8I342 S346 Q347I342-S344 PolarHBondContact O-N 2.97Å; S344-S346 PolarHBondContact O-N 3.15Å; S344-Q347 PolarHBondContact O-N 3.47Å; S344-Q347 WeakPolarHBondContact OG-CB 3.33Å; S344-Q347 WeakPolarHBondContact OG-CG 3.43Å; S344-Q347 PolarHBondContact OG-NE2 3.3Å; S344-Q347 PolarHBondContact OG-OE1 3.29Å
345F60.2Low65.2Low86 Ų8650.9 Ų50.938%0.37730%0.298SS..Hα-helixtrans-55-34.1172.6-174.3-112.5000111.3Q347 V348 L349 D363F345-Q347 VanDerWaalsContact C-N 3.31Å; F345-Q347 PolarHBondContact O-N 3.39Å; F345-V348 PolarHBondContact O-N 3.31Å; F345-L349 HydrophobicContact CD1-CD1 3.6Å; F345-L349 HydrophobicContact CD1-CG 3.95Å; F345-L349 HydrophobicContact CE1-CD1 3.24Å; F345-L349 HydrophobicContact CE1-CD2 4.08Å; F345-L349 HydrophobicContact CE1-CG 3.67Å; F345-L349 HydrophobicContact CE2-CG 4.5Å; F345-L349 HydrophobicContact CZ-CD1 3.96Å; F345-L349 HydrophobicContact CZ-CD2 3.91Å; F345-L349 HydrophobicContact CZ-CG 3.95Å; F345-L349 PolarHBondContact O-N 2.9Å; F345-D363 PolarHBondContact N-OD1 3.17Å
346S58Low64Low24 Ų2450.4 Ų50.417%0.16831%0.308CS..Hα-helixtrans-56.2-38.6172.8-175.10000113.7S344 L349 S350 D363S344-S346 PolarHBondContact O-N 3.15Å; S346-L349 PolarHBondContact O-N 3.49Å; S346-S350 VanDerWaalsContact O-CB 3.22Å; S346-S350 WeakPolarHBondContact O-CB 3.4Å; S346-S350 PolarHBondContact O-N 3.37Å; S346-S350 PolarHBondContact O-OG 3.44Å; S346-D363 WeakPolarHBondContact CB-OD2 3.16Å; S346-D363 PolarHBondContact N-OD1 3.18Å
347Q60.7Low62.7Low47 Ų4754.4 Ų54.422%0.2233%0.326CS..Hα-helixtrans-67-41178.8-70.7180-1.900111.5E283 S344 F345 S350 A351E283-Q347 PolarHBondContact OE1-OE1 3.28Å; S344-Q347 PolarHBondContact O-N 3.47Å; S344-Q347 WeakPolarHBondContact OG-CB 3.33Å; S344-Q347 WeakPolarHBondContact OG-CG 3.43Å; S344-Q347 PolarHBondContact OG-NE2 3.3Å; S344-Q347 PolarHBondContact OG-OE1 3.29Å; F345-Q347 VanDerWaalsContact C-N 3.31Å; F345-Q347 PolarHBondContact O-N 3.39Å; Q347-S350 PolarHBondContact O-N 3.4Å; Q347-S350 PolarHBondContact O-OG 3.25Å; Q347-A351 PolarHBondContact O-N 3.1Å
348V62Low61.4Low28 Ų2858.5 Ų58.517%0.1735%0.351CS..Hα-helixtrans-64.7-47.1176.5177.40000110.9L303 I342 F345 S350 A351L303-V348 HydrophobicContact CD1-CB 4.33Å; L303-V348 HydrophobicContact CD1-CG1 3.42Å; L303-V348 VanDerWaalsContact CD1-CG1 3.42Å; I342-V348 HydrophobicContact CG2-CG2 3.63Å; F345-V348 PolarHBondContact O-N 3.31Å; V348-S350 VanDerWaalsContact C-N 3.32Å; V348-S350 PolarHBondContact O-N 2.78Å; V348-A351 WeakPolarHBondContact O-CB 3.48Å; V348-A351 PolarHBondContact O-N 3.16Å
349L62.2Low60.3Low32 Ų3262.9 Ų62.917%0.16837%0.374CS..Hα-helixtrans-64.8-35.7177.2-71.6-173.4000112.5F345 S346 A351 I352 L355 L360F345-L349 HydrophobicContact CD1-CD1 3.6Å; F345-L349 HydrophobicContact CD1-CG 3.95Å; F345-L349 HydrophobicContact CE1-CD1 3.24Å; F345-L349 HydrophobicContact CE1-CD2 4.08Å; F345-L349 HydrophobicContact CE1-CG 3.67Å; F345-L349 HydrophobicContact CE2-CG 4.5Å; F345-L349 HydrophobicContact CZ-CD1 3.96Å; F345-L349 HydrophobicContact CZ-CD2 3.91Å; F345-L349 HydrophobicContact CZ-CG 3.95Å; F345-L349 PolarHBondContact O-N 2.9Å; S346-L349 PolarHBondContact O-N 3.49Å; L349-A351 PolarHBondContact O-N 3.31Å; L349-I352 HydrophobicContact CD2-CD1 4.3Å; L349-I352 PolarHBondContact O-N 3.02Å; L349-I352 VanDerWaalsContact O-N 3.13Å; L349-L355 HydrophobicContact CB-CD2 4.34Å; L349-L355 HydrophobicContact CD1-CD2 4.47Å; L349-L355 HydrophobicContact CD2-CD2 3.9Å; L349-L355 HydrophobicContact CG-CD2 4.48Å; L349-L360 HydrophobicContact CB-CD2 3.51Å; L349-L360 HydrophobicContact CD1-CD2 4.22Å
350S62.1Low59.5Low42 Ų4262.4 Ų62.429%0.29437%0.371SS..Hα-helixtrans-65.5-19.5177.776.60000113.5S346 Q347 V348S346-S350 VanDerWaalsContact O-CB 3.22Å; S346-S350 WeakPolarHBondContact O-CB 3.4Å; S346-S350 PolarHBondContact O-N 3.37Å; S346-S350 PolarHBondContact O-OG 3.44Å; Q347-S350 PolarHBondContact O-N 3.4Å; Q347-S350 PolarHBondContact O-OG 3.25Å; V348-S350 VanDerWaalsContact C-N 3.32Å; V348-S350 PolarHBondContact O-N 2.78Å
351A61.5Low58.6Low12 Ų1264.8 Ų64.810%0.09940%0.395CS..THydrogen-bonded Turntrans-81.9-15.6176.600000113G298 D299 L303 Q347 V348 L349 P353G298-A351 CarbonylContact C-O 3.59Å; G298-A351 VanDerWaalsContact CA-O 3.24Å; G298-A351 WeakPolarHBondContact CA-O 3.39Å; D299-A351 HydrophobicContact CB-CB 4.49Å; D299-A351 PolarHBondContact N-O 3.36Å; L303-A351 HydrophobicContact CB-CB 4.16Å; Q347-A351 PolarHBondContact O-N 3.1Å; V348-A351 WeakPolarHBondContact O-CB 3.48Å; V348-A351 PolarHBondContact O-N 3.16Å; L349-A351 PolarHBondContact O-N 3.31Å; A351-P353 WeakPolarHBondContact O-CD 3.36Å
352I61.3Low58.3Low66 Ų6662 Ų6234%0.33839%0.387SS..SBendtrans-84.2115.8-178.5-59.3177.1000109.9L303 L349 G354L303-I352 HydrophobicContact CD2-CG1 4.11Å; L349-I352 HydrophobicContact CD2-CD1 4.3Å; L349-I352 PolarHBondContact O-N 3.02Å; L349-I352 VanDerWaalsContact O-N 3.13Å; I352-G354 PolarHBondContact O-N 2.89Å
353P52.8Low58.3Low63 Ų6362.3 Ų62.341%0.40939%0.39SS..THydrogen-bonded Turntrans-64137.2178.824.1-31000111.7L300 A351 L355L300-P353 HydrophobicContact CD2-CG 4.31Å; A351-P353 WeakPolarHBondContact O-CD 3.36Å; P353-L355 VanDerWaalsContact C-N 3.35Å; P353-L355 PolarHBondContact O-N 2.83Å
354G59.3Low58.7Low86 Ų8666.3 Ų66.389%0.88740%0.395SS*.THydrogen-bonded Turntrans86.1-7.6176.100000115.8I352 G356I352-G354 PolarHBondContact O-N 2.89Å; G354-G356 PolarHBondContact O-N 2.9Å
355L58.8Low59.3Low75 Ų7568.8 Ų68.839%0.39340%0.403SS..  trans-77.2119.8169.7-135.381.8000109.1L349 P353 Q357 L359L349-L355 HydrophobicContact CB-CD2 4.34Å; L349-L355 HydrophobicContact CD1-CD2 4.47Å; L349-L355 HydrophobicContact CD2-CD2 3.9Å; L349-L355 HydrophobicContact CG-CD2 4.48Å; P353-L355 VanDerWaalsContact C-N 3.35Å; P353-L355 PolarHBondContact O-N 2.83Å; L355-Q357 PolarHBondContact O-N 3.01Å; L355-L359 HydrophobicContact CG-CD1 4.42Å
356G54.4Low59.9Low43 Ų4367 Ų6744%0.44340%0.402SS..  trans-59.6135.8-178.600000112G354 D358 L359G354-G356 PolarHBondContact O-N 2.9Å; G356-D358 PolarHBondContact O-N 3.33Å; G356-L359 PolarHBondContact O-N 2.97Å
357Q55.3Low60.8Low98 Ų9867.3 Ų67.346%0.45840%0.401SS..G310 helixtrans-58.8-19.1177.5-71.9-175.7-7.900113.1L355 L359 L360L355-Q357 PolarHBondContact O-N 3.01Å; Q357-L359 PolarHBondContact O-N 3.3Å; Q357-L360 HydrophobicContact CB-CD1 4.26Å; Q357-L360 HydrophobicContact CG-CD1 4.16Å; Q357-L360 VanDerWaalsContact O-CB 3.23Å; Q357-L360 WeakPolarHBondContact O-CB 3.26Å; Q357-L360 PolarHBondContact O-N 3.06Å
358D54.3Low61.8Low157 Ų15773.4 Ų73.484%0.8442%0.421SS*.G310 helixtrans-64.9-22.7179.5-64.1-24.3000113.5G356 L360G356-D358 PolarHBondContact O-N 3.33Å; D358-L360 VanDerWaalsContact C-N 3.26Å; D358-L360 PolarHBondContact O-N 3.44Å
359L52.8Low62.8Low129 Ų12979.2 Ų79.268%0.67544%0.44SS*.G310 helixtrans-75-14.1172.1-81.9153.5000113.1L355 G356 Q357L355-L359 HydrophobicContact CG-CD1 4.42Å; G356-L359 PolarHBondContact O-N 2.97Å; Q357-L359 PolarHBondContact O-N 3.3Å
360L53.3Low63.9Low38 Ų3879.2 Ų79.220%0.19944%0.44CS..G310 helixtrans-88.3-2.6-172.2-58.2173.7000114.2L349 Q357 D358 N362L349-L360 HydrophobicContact CB-CD2 3.51Å; L349-L360 HydrophobicContact CD1-CD2 4.22Å; Q357-L360 HydrophobicContact CB-CD1 4.26Å; Q357-L360 HydrophobicContact CG-CD1 4.16Å; Q357-L360 VanDerWaalsContact O-CB 3.23Å; Q357-L360 WeakPolarHBondContact O-CB 3.26Å; Q357-L360 PolarHBondContact O-N 3.06Å; D358-L360 VanDerWaalsContact C-N 3.26Å; D358-L360 PolarHBondContact O-N 3.44Å; L360-N362 VanDerWaalsContact C-N 3.34Å; L360-N362 PolarHBondContact O-N 3.31Å
361A53.2Low65Low82 Ų8283.5 Ų83.568%0.67845%0.454SS*.THydrogen-bonded Turntrans-72.7-17.6-167.700000115.4
362N61.4Low66.3Low85 Ų8588.8 Ų88.846%0.45547%0.471SS..THydrogen-bonded Turntrans-122.137.1-166.7-73.814.2000114.6L360 Q364 E365 S366L360-N362 VanDerWaalsContact C-N 3.34Å; L360-N362 PolarHBondContact O-N 3.31Å; N362-Q364 PolarHBondContact O-N 2.99Å; N362-E365 HydrophobicContact CB-CB 4.11Å; N362-E365 PolarHBondContact ND2-OE2 2.84Å; N362-E365 PolarHBondContact O-N 3.07Å; N362-S366 WeakPolarHBondContact O-CB 3.33Å; N362-S366 PolarHBondContact O-N 3.03Å; N362-S366 PolarHBondContact O-OG 3.18Å
363D62.8Low67.7Low41 Ų4186.9 Ų86.922%0.21946%0.461CS..Hα-helixtrans-56.1-51.6-177.8-151.934.5000112F345 S346 E365 S366 H367F345-D363 PolarHBondContact N-OD1 3.17Å; S346-D363 WeakPolarHBondContact CB-OD2 3.16Å; S346-D363 PolarHBondContact N-OD1 3.18Å; D363-E365 VanDerWaalsContact C-N 3.34Å; D363-E365 PolarHBondContact O-N 3.34Å; D363-S366 PolarHBondContact O-N 3.34Å; D363-H367 PolarHBondContact O-CD2 3.43Å; D363-H367 PolarHBondContact O-N 3.22Å; D363-H367 IonicContact OD1-CD2 2.75Å; D363-H367 IonicContact OD1-NE2 3.92Å
364Q66.6Low69.4Low135 Ų13584.9 Ų84.963%0.63145%0.447SS*.Hα-helixtrans-59-41.2176.8-78.1-82-25.900113.1N362 R368N362-Q364 PolarHBondContact O-N 2.99Å; Q364-R368 VanDerWaalsContact O-CG 3.31Å; Q364-R368 WeakPolarHBondContact O-CG 3.19Å; Q364-R368 PolarHBondContact O-N 2.89Å; Q364-R368 VanDerWaalsContact O-N 3.07Å
365E72.4Confident71Confident75 Ų7583.9 Ų83.935%0.3542%0.424SS..Hα-helixtrans-68.6-38.7179-160.6-169.5176.300111.3N362 D363 R368 R369N362-E365 HydrophobicContact CB-CB 4.11Å; N362-E365 PolarHBondContact ND2-OE2 2.84Å; N362-E365 PolarHBondContact O-N 3.07Å; D363-E365 VanDerWaalsContact C-N 3.34Å; D363-E365 PolarHBondContact O-N 3.34Å; E365-R368 PolarHBondContact O-N 2.95Å; E365-R369 VanDerWaalsContact CD-NH2 3.33Å; E365-R369 WeakPolarHBondContact O-CB 3.24Å; E365-R369 VanDerWaalsContact O-CG 3.27Å; E365-R369 WeakPolarHBondContact O-CG 3.42Å; E365-R369 PolarHBondContact O-N 3Å; E365-R369 IonicContact OE1-CZ 2.56Å; E365-R369 VanDerWaalsContact OE1-CZ 3.25Å; E365-R369 IonicContact OE1-NE 2.87Å; E365-R369 PolarHBondContact OE1-NE 3.48Å; E365-R369 IonicContact OE1-NH2 3.82Å; E365-R369 PolarHBondContact OE1-NH2 3.37Å; E365-R369 IonicContact OE2-NH2 2.76Å
366S72.1Confident72.6Confident49 Ų4980.5 Ų80.534%0.34341%0.406SS..Hα-helixtrans-65.4-44.1178.9-57.60000111N362 D363 R368 R369 L370N362-S366 WeakPolarHBondContact O-CB 3.33Å; N362-S366 PolarHBondContact O-N 3.03Å; N362-S366 PolarHBondContact O-OG 3.18Å; D363-S366 PolarHBondContact O-N 3.34Å; S366-R368 PolarHBondContact O-N 2.85Å; S366-R369 PolarHBondContact O-N 3.2Å; S366-L370 WeakPolarHBondContact O-CG 3.49Å; S366-L370 PolarHBondContact O-N 3.37Å
367H77.5Confident74.3Confident31 Ų3178.5 Ų78.514%0.14439%0.385CS..Hα-helixtrans-60.7-43.8173.5-81.7-112.5000112.1L340 G343 D363 L370 K371L340-H367 HydrophobicContact CD2-CB 4.31Å; G343-H367 PolarHBondContact O-CE1 3.02Å; G343-H367 PolarHBondContact O-NE2 3.46Å; D363-H367 PolarHBondContact O-CD2 3.43Å; D363-H367 PolarHBondContact O-N 3.22Å; D363-H367 IonicContact OD1-CD2 2.75Å; D363-H367 IonicContact OD1-NE2 3.92Å; H367-L370 PolarHBondContact O-N 2.88Å; H367-K371 PolarHBondContact O-N 3.21Å
368R82.5Confident76.1Confident175 Ų17578.3 Ų78.366%0.6639%0.387SS*.Hα-helixtrans-62.8-42.3176.1-72.9176.9-170-174.62.9112Q364 E365 S366 K371 R372Q364-R368 VanDerWaalsContact O-CG 3.31Å; Q364-R368 WeakPolarHBondContact O-CG 3.19Å; Q364-R368 PolarHBondContact O-N 2.89Å; Q364-R368 VanDerWaalsContact O-N 3.07Å; E365-R368 PolarHBondContact O-N 2.95Å; S366-R368 PolarHBondContact O-N 2.85Å; R368-K371 PolarHBondContact O-N 3.24Å; R368-R372 WeakPolarHBondContact O-CB 3.43Å; R368-R372 PolarHBondContact O-N 2.88Å
369R83.2Confident77.9Confident150 Ų15072.3 Ų72.357%0.56636%0.357SS*.Hα-helixtrans-63-43.9176.7-73.5172.3-178.6-166.71.3111.6E365 S366 R372 L373E365-R369 VanDerWaalsContact CD-NH2 3.33Å; E365-R369 WeakPolarHBondContact O-CB 3.24Å; E365-R369 VanDerWaalsContact O-CG 3.27Å; E365-R369 WeakPolarHBondContact O-CG 3.42Å; E365-R369 PolarHBondContact O-N 3Å; E365-R369 IonicContact OE1-CZ 2.56Å; E365-R369 VanDerWaalsContact OE1-CZ 3.25Å; E365-R369 IonicContact OE1-NE 2.87Å; E365-R369 PolarHBondContact OE1-NE 3.48Å; E365-R369 IonicContact OE1-NH2 3.82Å; E365-R369 PolarHBondContact OE1-NH2 3.37Å; E365-R369 IonicContact OE2-NH2 2.76Å; S366-R369 PolarHBondContact O-N 3.2Å; R369-R372 WeakPolarHBondContact O-CB 3.45Å; R369-R372 PolarHBondContact O-N 3.11Å; R369-L373 WeakPolarHBondContact O-CG 3.27Å; R369-L373 PolarHBondContact O-N 3.21Å
370L84.2Confident79.8Confident32 Ų3266.9 Ų66.917%0.16833%0.329CS..Hα-helixtrans-63.4-46.8176.6-73176.8000112.1F336 I339 L340 S366 H367 R372 L373 M374F336-L370 HydrophobicContact CD1-CD2 3.93Å; F336-L370 HydrophobicContact CD2-CD2 4.17Å; F336-L370 HydrophobicContact CE1-CD2 4.01Å; F336-L370 HydrophobicContact CE2-CD2 4.27Å; F336-L370 HydrophobicContact CG-CD2 4.02Å; F336-L370 HydrophobicContact CZ-CD2 4.19Å; I339-L370 HydrophobicContact CG2-CD1 3.71Å; L340-L370 HydrophobicContact CD2-CB 4.02Å; L340-L370 HydrophobicContact CD2-CD1 4.25Å; L340-L370 HydrophobicContact CG-CB 4.35Å; S366-L370 WeakPolarHBondContact O-CG 3.49Å; S366-L370 PolarHBondContact O-N 3.37Å; H367-L370 PolarHBondContact O-N 2.88Å; L370-R372 VanDerWaalsContact C-N 3.26Å; L370-R372 PolarHBondContact O-N 2.9Å; L370-L373 PolarHBondContact O-N 3.16Å; L370-L373 VanDerWaalsContact O-N 3.14Å; L370-M374 PolarHBondContact O-N 2.87Å
371K86.4Confident81.6Confident131 Ų13167.9 Ų67.957%0.5733%0.334SS*.Hα-helixtrans-56.9-41.5174.2-77.9-174.1176.1-178.30111.7L340 H367 R368 L373 M374 T375L340-K371 HydrophobicContact CD1-CG 3.86Å; L340-K371 HydrophobicContact CD2-CG 4.32Å; H367-K371 PolarHBondContact O-N 3.21Å; R368-K371 PolarHBondContact O-N 3.24Å; K371-L373 PolarHBondContact O-N 2.85Å; K371-M374 WeakPolarHBondContact O-CB 3.12Å; K371-M374 PolarHBondContact O-N 3.03Å; K371-T375 PolarHBondContact O-N 3.27Å; K371-T375 PolarHBondContact O-OG1 3.06Å; K371-T375 VanDerWaalsContact O-OG1 3.07Å
372R88.4Confident83.4Confident123 Ų12369.2 Ų69.246%0.46433%0.33SS..Hα-helixtrans-62.7-41177.1-165.3172.3-169.6-148.1-9112.5R368 R369 L370 M374 T375 I376 E414R368-R372 WeakPolarHBondContact O-CB 3.43Å; R368-R372 PolarHBondContact O-N 2.88Å; R369-R372 WeakPolarHBondContact O-CB 3.45Å; R369-R372 PolarHBondContact O-N 3.11Å; L370-R372 VanDerWaalsContact C-N 3.26Å; L370-R372 PolarHBondContact O-N 2.9Å; R372-M374 VanDerWaalsContact C-N 3.32Å; R372-T375 PolarHBondContact O-N 3.48Å; R372-I376 WeakPolarHBondContact O-CG1 3.42Å; R372-I376 PolarHBondContact O-N 3.37Å; R372-E414 IonicContact CZ-OE1 3.44Å; R372-E414 IonicContact NE-OE1 3.58Å; R372-E414 IonicContact NH1-OE1 2.76Å; R372-E414 PolarHBondContact NH1-OE1 3.44Å; R372-E414 VanDerWaalsContact NH2-CD 3.27Å; R372-E414 IonicContact NH2-OE1 3.25Å; R372-E414 PolarHBondContact NH2-OE1 3.45Å; R372-E414 IonicContact NH2-OE2 2.69Å; R372-E414 PolarHBondContact NH2-OE2 2.91Å
373L89.1Confident84.6Confident26 Ų2672 Ų7214%0.13634%0.335CS..Hα-helixtrans-64.7-37174.2-68.5172000112F336 R369 L370 K371 I376 M377 L418F336-L373 HydrophobicContact CD2-CB 4.33Å; F336-L373 HydrophobicContact CE2-CB 3.96Å; F336-L373 HydrophobicContact CE2-CD1 3.76Å; F336-L373 HydrophobicContact CZ-CD1 4.16Å; R369-L373 WeakPolarHBondContact O-CG 3.27Å; R369-L373 PolarHBondContact O-N 3.21Å; L370-L373 PolarHBondContact O-N 3.16Å; L370-L373 VanDerWaalsContact O-N 3.14Å; K371-L373 PolarHBondContact O-N 2.85Å; L373-I376 HydrophobicContact CD2-CD1 4.46Å; L373-I376 WeakPolarHBondContact O-CB 3.46Å; L373-I376 PolarHBondContact O-N 3.34Å; L373-M377 PolarHBondContact O-N 3.34Å; L373-M377 VanDerWaalsContact O-N 3.13Å; L373-L418 HydrophobicContact CB-CD1 4.15Å; L373-L418 HydrophobicContact CD2-CB 3.91Å; L373-L418 HydrophobicContact CD2-CD1 3.78Å; L373-L418 HydrophobicContact CD2-CG 4Å; L373-L418 WeakPolarHBondContact O-CD1 3.43Å
374M89.8Confident85.8Confident21 Ų2170 Ų7010%0.10333%0.325CS..Hα-helixtrans-63.6-44.2174.4-71.6177.261.500112.2Y333 F336 Q337 L340 L370 K371 R372 I376 M377 D378Y333-M374 HydrophobicContact CD2-CB 4.35Å; Y333-M374 HydrophobicContact CD2-CE 4.45Å; Y333-M374 HydrophobicContact CD2-CG 4.1Å; Y333-M374 HydrophobicContact CE1-CE 4.2Å; Y333-M374 HydrophobicContact CE2-CB 3.83Å; Y333-M374 HydrophobicContact CE2-CE 3.74Å; Y333-M374 HydrophobicContact CE2-CG 3.94Å; F336-M374 HydrophobicContact CB-CG 4.17Å; F336-M374 HydrophobicContact CB-SD 4.18Å; F336-M374 HydrophobicContact CD2-CG 4.43Å; Q337-M374 HydrophobicContact CG-CE 3.39Å; Q337-M374 HydrophobicContact CG-SD 4.28Å; L340-M374 HydrophobicContact CD1-CE 4.41Å; L340-M374 HydrophobicContact CD1-SD 3.27Å; L340-M374 WeakPolarHBondContact CD1-SD 3.49Å; L340-M374 HydrophobicContact CG-SD 4.45Å; L370-M374 PolarHBondContact O-N 2.87Å; K371-M374 WeakPolarHBondContact O-CB 3.12Å; K371-M374 PolarHBondContact O-N 3.03Å; R372-M374 VanDerWaalsContact C-N 3.32Å; M374-I376 PolarHBondContact O-N 2.98Å; M374-M377 HydrophobicContact CG-CE 4.21Å; M374-M377 CarbonylContact O-C 3.49Å; M374-M377 WeakPolarHBondContact O-CA 3.49Å; M374-M377 WeakPolarHBondContact O-CB 3.48Å; M374-M377 PolarHBondContact O-N 3.38Å; M374-D378 PolarHBondContact O-N 2.82Å
375T92.7Very high86.8Confident66 Ų6664.3 Ų64.341%0.40530%0.299SS..Hα-helixtrans-58.8-33.2175.3-50.10000112.8K371 R372 D378 S379 A408K371-T375 PolarHBondContact O-N 3.27Å; K371-T375 PolarHBondContact O-OG1 3.06Å; K371-T375 VanDerWaalsContact O-OG1 3.07Å; R372-T375 PolarHBondContact O-N 3.48Å; T375-D378 WeakPolarHBondContact CA-OD2 3.42Å; T375-S379 PolarHBondContact O-N 3.4Å; T375-S379 PolarHBondContact O-OG 2.82Å; T375-A408 HydrophobicContact CG2-CB 4.37Å
376I92.8Very high87.4Confident4 Ų464.1 Ų64.12%0.02130%0.3CS..Hα-helixtrans-66.3-43.8173-62.4173.3000110.8R372 L373 M374 S379 M380 V404 A408 V410 E414 V415 L418R372-I376 WeakPolarHBondContact O-CG1 3.42Å; R372-I376 PolarHBondContact O-N 3.37Å; L373-I376 HydrophobicContact CD2-CD1 4.46Å; L373-I376 WeakPolarHBondContact O-CB 3.46Å; L373-I376 PolarHBondContact O-N 3.34Å; M374-I376 PolarHBondContact O-N 2.98Å; I376-S379 WeakPolarHBondContact O-CB 3.27Å; I376-S379 PolarHBondContact O-N 3.32Å; I376-M380 HydrophobicContact CG2-CE 4.21Å; I376-V404 HydrophobicContact CG2-CG1 3.62Å; I376-V404 WeakPolarHBondContact O-CG1 3.46Å; I376-A408 HydrophobicContact CB-CB 4.49Å; I376-A408 HydrophobicContact CG1-CB 4.11Å; I376-V410 HydrophobicContact CD1-CB 4.5Å; I376-V410 HydrophobicContact CD1-CG1 4.17Å; I376-V410 HydrophobicContact CD1-CG2 4.05Å; I376-V410 HydrophobicContact CG1-CG1 4.03Å; I376-V410 HydrophobicContact CG1-CG2 3.91Å; I376-E414 HydrophobicContact CD1-CB 4.44Å; I376-V415 HydrophobicContact CG2-CG1 4.49Å; I376-V415 HydrophobicContact CG2-CG2 4.17Å; I376-L418 HydrophobicContact CB-CD1 3.78Å; I376-L418 HydrophobicContact CD1-CD1 4.33Å; I376-L418 HydrophobicContact CG2-CD1 3.69Å
377M90.4Very high87.8Confident1 Ų162.4 Ų62.41%0.00529%0.288CS..Hα-helixtrans-68.2-33.6176.8-70.3-175-79.200112.4M332 Y333 F336 L373 M374 S379 M380 L385 L418M332-M377 HydrophobicContact CE-CE 3.96Å; M332-M377 HydrophobicContact CE-SD 3.53Å; M332-M377 VanDerWaalsContact CE-SD 3.53Å; Y333-M377 HydrophobicContact CD2-CB 3.78Å; Y333-M377 HydrophobicContact CD2-CE 3.77Å; Y333-M377 HydrophobicContact CD2-SD 4.09Å; Y333-M377 HydrophobicContact CE2-CB 4.29Å; Y333-M377 HydrophobicContact CG-CE 4.43Å; F336-M377 HydrophobicContact CD2-CE 3.51Å; F336-M377 HydrophobicContact CE2-CE 3.84Å; L373-M377 PolarHBondContact O-N 3.34Å; L373-M377 VanDerWaalsContact O-N 3.13Å; M374-M377 HydrophobicContact CG-CE 4.21Å; M374-M377 CarbonylContact O-C 3.49Å; M374-M377 WeakPolarHBondContact O-CA 3.49Å; M374-M377 WeakPolarHBondContact O-CB 3.48Å; M374-M377 PolarHBondContact O-N 3.38Å; M377-S379 PolarHBondContact O-N 3.46Å; M377-M380 HydrophobicContact CG-SD 4.48Å; M377-M380 VanDerWaalsContact O-CB 3.28Å; M377-M380 WeakPolarHBondContact O-CB 3.42Å; M377-M380 PolarHBondContact O-N 3.15Å; M377-L385 HydrophobicContact CB-CD2 4.15Å; M377-L418 HydrophobicContact CG-CD1 3.9Å; M377-L418 HydrophobicContact CG-CD2 4.47Å
378D92.4Very high87.5Confident94 Ų9466.6 Ų66.650%0.50331%0.311SS..Hα-helixtrans-63-20.8174.5-61.7-30.2000112.1Y333 M374 T375 M380Y333-D378 WeakPolarHBondContact CE2-OD1 3.31Å; Y333-D378 VanDerWaalsContact CZ-OD1 3.3Å; Y333-D378 PolarHBondContact OH-OD1 3.31Å; M374-D378 PolarHBondContact O-N 2.82Å; T375-D378 WeakPolarHBondContact CA-OD2 3.42Å; D378-M380 VanDerWaalsContact C-N 3.34Å
379S92.7Very high86.7Confident30 Ų3061.3 Ų61.321%0.2129%0.294CS..THydrogen-bonded Turntrans-87.90.3174.5-63.90000113.9T375 I376 M377 R403 G407 A408T375-S379 PolarHBondContact O-N 3.4Å; T375-S379 PolarHBondContact O-OG 2.82Å; I376-S379 WeakPolarHBondContact O-CB 3.27Å; I376-S379 PolarHBondContact O-N 3.32Å; M377-S379 PolarHBondContact O-N 3.46Å; S379-R403 PolarHBondContact O-NH2 3.32Å; S379-G407 VanDerWaalsContact OG-C 3.29Å; S379-A408 PolarHBondContact OG-N 3.08Å
380M92.3Very high86.1Confident15 Ų1554.4 Ų54.47%0.07427%0.269CS..SBendtrans-92.7152.7175.1-58.9-177.8177.500110.5L329 I376 M377 D378 E384 L385 F394 V404 L418L329-M380 HydrophobicContact CD1-CE 4.43Å; L329-M380 HydrophobicContact CD1-SD 3.78Å; I376-M380 HydrophobicContact CG2-CE 4.21Å; M377-M380 HydrophobicContact CG-SD 4.48Å; M377-M380 VanDerWaalsContact O-CB 3.28Å; M377-M380 WeakPolarHBondContact O-CB 3.42Å; M377-M380 PolarHBondContact O-N 3.15Å; D378-M380 VanDerWaalsContact C-N 3.34Å; M380-E384 WeakPolarHBondContact CA-OE2 3.46Å; M380-E384 HydrophobicContact CB-CB 4.05Å; M380-E384 WeakPolarHBondContact CB-OE2 3.42Å; M380-L385 HydrophobicContact CB-CD2 3.99Å; M380-L385 HydrophobicContact CB-CG 3.96Å; M380-L385 HydrophobicContact SD-CD2 4.16Å; M380-F394 HydrophobicContact CE-CE1 4.11Å; M380-F394 HydrophobicContact CE-CE2 4.17Å; M380-F394 HydrophobicContact CE-CZ 3.61Å; M380-F394 HydrophobicContact CG-CZ 3.97Å; M380-F394 HydrophobicContact SD-CE2 4.13Å; M380-F394 HydrophobicContact SD-CZ 3.62Å; M380-V404 HydrophobicContact CE-CG1 4.24Å; M380-V404 HydrophobicContact CG-CG1 4.42Å; M380-V404 HydrophobicContact CG-CG2 3.87Å; M380-L418 HydrophobicContact CE-CD2 4.22Å
381N91.4Very high85.4Confident60 Ų6053.1 Ų53.132%0.32126%0.264SS..  trans-87.8166173.456.343.5000111.5Y383 E384 L385N381-Y383 PolarHBondContact O-N 3.46Å; N381-Y383 PolarHBondContact OD1-N 2.88Å; N381-E384 PolarHBondContact N-OE2 3.3Å; N381-E384 VanDerWaalsContact ND2-CD 3.29Å; N381-E384 PolarHBondContact ND2-OE1 2.96Å; N381-E384 WeakPolarHBondContact O-CB 3.47Å; N381-E384 PolarHBondContact O-N 3.43Å; N381-E384 VanDerWaalsContact OD1-CB 3.29Å; N381-E384 WeakPolarHBondContact OD1-CB 3.5Å; N381-E384 WeakPolarHBondContact OD1-CG 3.45Å; N381-E384 PolarHBondContact OD1-N 3.41Å; N381-E384 PolarHBondContact OD1-OE2 3.29Å; N381-L385 PolarHBondContact O-N 3.37Å
382D90Very high84.9Confident109 Ų10955.4 Ų55.458%0.58327%0.269SS*.Hα-helixtrans-56.4-39.1-179.6-64.1-41.7000112.3R330 E384 L385 D386R330-D382 IonicContact CZ-OD1 3.71Å; R330-D382 IonicContact NH2-OD1 2.74Å; R330-D382 PolarHBondContact NH2-OD1 3.22Å; D382-E384 VanDerWaalsContact C-N 3.32Å; D382-E384 PolarHBondContact O-N 3.48Å; D382-L385 PolarHBondContact O-N 3.21Å; D382-D386 VanDerWaalsContact O-CB 3.31Å; D382-D386 WeakPolarHBondContact O-CB 3.45Å; D382-D386 PolarHBondContact O-N 2.74Å
383Y87.5Confident84.7Confident143 Ų14350 Ų5056%0.56125%0.249SC*.Hα-helixtrans-60.7-39.5175.8-177.8-99.4000112.8N381 S387 L393N381-Y383 PolarHBondContact O-N 3.46Å; N381-Y383 PolarHBondContact OD1-N 2.88Å; Y383-S387 WeakPolarHBondContact O-CB 3.44Å; Y383-S387 PolarHBondContact O-N 3.03Å; Y383-S387 VanDerWaalsContact O-N 3.16Å; Y383-L393 HydrophobicContact CD1-CD2 3.72Å; Y383-L393 HydrophobicContact CE1-CD1 3.81Å; Y383-L393 HydrophobicContact CE1-CD2 3.61Å; Y383-L393 HydrophobicContact CE1-CG 4.38Å
384E88.3Confident84.4Confident0 Ų048.8 Ų48.80%024%0.243CC..Hα-helixtrans-72-35.6175.9-74.4154.7-172.900112.3M380 N381 D382 L393 F394 R400 R403M380-E384 WeakPolarHBondContact CA-OE2 3.46Å; M380-E384 HydrophobicContact CB-CB 4.05Å; M380-E384 WeakPolarHBondContact CB-OE2 3.42Å; N381-E384 PolarHBondContact N-OE2 3.3Å; N381-E384 VanDerWaalsContact ND2-CD 3.29Å; N381-E384 PolarHBondContact ND2-OE1 2.96Å; N381-E384 WeakPolarHBondContact O-CB 3.47Å; N381-E384 PolarHBondContact O-N 3.43Å; N381-E384 VanDerWaalsContact OD1-CB 3.29Å; N381-E384 WeakPolarHBondContact OD1-CB 3.5Å; N381-E384 WeakPolarHBondContact OD1-CG 3.45Å; N381-E384 PolarHBondContact OD1-N 3.41Å; N381-E384 PolarHBondContact OD1-OE2 3.29Å; D382-E384 VanDerWaalsContact C-N 3.32Å; D382-E384 PolarHBondContact O-N 3.48Å; E384-L393 HydrophobicContact CB-CD2 4.32Å; E384-L393 HydrophobicContact CG-CD2 3.66Å; E384-F394 HydrophobicContact CB-CE2 4.2Å; E384-F394 HydrophobicContact CB-CZ 3.97Å; E384-F394 HydrophobicContact CG-CE2 4.28Å; E384-F394 HydrophobicContact CG-CZ 3.91Å; E384-R400 WeakPolarHBondContact OE1-CD 3.22Å; E384-R400 IonicContact OE1-CZ 3.66Å; E384-R400 IonicContact OE1-NE 2.65Å; E384-R400 IonicContact OE1-NH1 3.76Å; E384-R400 PolarHBondContact OE1-NH1 3.48Å; E384-R403 VanDerWaalsContact CD-NH2 3.35Å; E384-R403 IonicContact OE1-CZ 2.99Å; E384-R403 IonicContact OE1-NH1 2.81Å; E384-R403 PolarHBondContact OE1-NH1 3.13Å; E384-R403 IonicContact OE1-NH2 2.77Å; E384-R403 PolarHBondContact OE1-NH2 3.3Å; E384-R403 IonicContact OE2-CZ 3.63Å; E384-R403 IonicContact OE2-NH1 2.72Å; E384-R403 IonicContact OE2-NH2 2.92Å; E384-R403 PolarHBondContact OE2-NH2 3.17Å
385L87.5Confident84Confident16 Ų1653.9 Ų53.98%0.08427%0.271CS..Hα-helixtrans-74.1-36.9-179.2-72.3174.6000112.8T328 L329 R330 M377 M380 N381 D382T328-L385 VanDerWaalsContact CB-O 3.28Å; T328-L385 WeakPolarHBondContact CB-O 3.36Å; L329-L385 HydrophobicContact CB-CD2 4.03Å; L329-L385 PolarHBondContact N-O 3.21Å; L329-L385 VanDerWaalsContact N-O 3.09Å; R330-L385 HydrophobicContact CB-CB 4.32Å; R330-L385 PolarHBondContact N-O 3.24Å; M377-L385 HydrophobicContact CB-CD2 4.15Å; M380-L385 HydrophobicContact CB-CD2 3.99Å; M380-L385 HydrophobicContact CB-CG 3.96Å; M380-L385 HydrophobicContact SD-CD2 4.16Å; N381-L385 PolarHBondContact O-N 3.37Å; D382-L385 PolarHBondContact O-N 3.21Å
386D85Confident83.6Confident70 Ų7058.7 Ų58.737%0.37428%0.281SS..Hα-helixtrans-100.1-2.7-173.8-64.5-48.4000113.8T328 R330 D382 D388T328-D386 WeakPolarHBondContact CG2-O 3.44Å; R330-D386 WeakPolarHBondContact CB-OD1 3.39Å; R330-D386 VanDerWaalsContact CD-OD1 3.24Å; R330-D386 WeakPolarHBondContact CD-OD1 3.32Å; R330-D386 IonicContact CZ-OD1 3.91Å; R330-D386 IonicContact CZ-OD2 2.88Å; R330-D386 VanDerWaalsContact NE-CG 3.27Å; R330-D386 IonicContact NE-OD1 3.92Å; R330-D386 PolarHBondContact NE-OD1 3.21Å; R330-D386 IonicContact NE-OD2 2.65Å; R330-D386 PolarHBondContact NE-OD2 2.89Å; R330-D386 IonicContact NH2-OD1 3.2Å; R330-D386 IonicContact NH2-OD2 2.69Å; R330-D386 PolarHBondContact NH2-OD2 3.32Å; D382-D386 VanDerWaalsContact O-CB 3.31Å; D382-D386 WeakPolarHBondContact O-CB 3.45Å; D382-D386 PolarHBondContact O-N 2.74Å; D386-D388 PolarHBondContact O-N 2.64Å
387S79.6Confident83.3Confident14 Ų1463.2 Ų63.210%0.09830%0.302CS..  trans-67128.9177.6-1780000112.3Y383 E389 G390Y383-S387 WeakPolarHBondContact O-CB 3.44Å; Y383-S387 PolarHBondContact O-N 3.03Å; Y383-S387 VanDerWaalsContact O-N 3.16Å; S387-E389 PolarHBondContact O-N 3.48Å; S387-E389 WeakPolarHBondContact OG-CB 3.45Å; S387-E389 PolarHBondContact OG-N 3.46Å; S387-E389 VanDerWaalsContact OG-N 3.14Å; S387-G390 PolarHBondContact O-N 3.31Å
388D71.4Confident83.1Confident119 Ų11967.5 Ų67.564%0.63633%0.33SS*.THydrogen-bonded Turntrans-59-25.1168.6-62.5-10.1000112.8V326 D386 G390V326-D388 WeakPolarHBondContact CG1-OD1 3.35Å; D386-D388 PolarHBondContact O-N 2.64Å; D388-G390 VanDerWaalsContact C-N 3.27Å; D388-G390 PolarHBondContact O-N 2.9Å
389E65.1Low82.9Confident64 Ų6465.5 Ų65.530%0.29933%0.332SS..THydrogen-bonded Turntrans-77.4-14.7178.3-65.4-164.8156.900112.6S387 G391 R392 R396S387-E389 PolarHBondContact O-N 3.48Å; S387-E389 WeakPolarHBondContact OG-CB 3.45Å; S387-E389 PolarHBondContact OG-N 3.46Å; S387-E389 VanDerWaalsContact OG-N 3.14Å; E389-G391 PolarHBondContact O-N 2.86Å; E389-R392 HydrophobicContact CB-CB 4.21Å; E389-R392 VanDerWaalsContact O-CB 3.27Å; E389-R392 WeakPolarHBondContact O-CB 3.5Å; E389-R392 WeakPolarHBondContact O-CG 3.32Å; E389-R392 PolarHBondContact O-N 2.98Å; E389-R396 IonicContact OE1-CZ 3.28Å; E389-R396 VanDerWaalsContact OE1-CZ 3.28Å; E389-R396 IonicContact OE1-NH1 3.62Å; E389-R396 PolarHBondContact OE1-NH1 3.5Å; E389-R396 IonicContact OE1-NH2 3.03Å; E389-R396 PolarHBondContact OE1-NH2 2.94Å; E389-R396 IonicContact OE2-CZ 3.35Å; E389-R396 IonicContact OE2-NH1 3.36Å; E389-R396 PolarHBondContact OE2-NH1 3.21Å; E389-R396 IonicContact OE2-NH2 3.88Å
390G70.5Confident82.8Confident4 Ų466.3 Ų66.34%0.04133%0.331CS..THydrogen-bonded Turntrans44.2-119178.200000112.9S387 D388 R392 L393S387-G390 PolarHBondContact O-N 3.31Å; D388-G390 VanDerWaalsContact C-N 3.27Å; D388-G390 PolarHBondContact O-N 2.9Å; G390-R392 PolarHBondContact O-N 3.16Å; G390-R392 VanDerWaalsContact O-N 3.16Å; G390-L393 PolarHBondContact O-N 2.76Å
391G70.4Confident82.8Confident6 Ų665.9 Ų65.96%0.06233%0.329CS..Hα-helixtrans-63.7-16.1179.800000115.9E389 L393 F394 N395E389-G391 PolarHBondContact O-N 2.86Å; G391-L393 VanDerWaalsContact C-N 3.28Å; G391-L393 PolarHBondContact O-N 3.46Å; G391-F394 PolarHBondContact O-N 3.4Å; G391-N395 PolarHBondContact O-N 2.98Å
392R76.7Confident82.8Confident179 Ų17965.9 Ų65.968%0.67533%0.329SS*.Hα-helixtrans-68.6-29.7177.3-59.5177.6-178.4-175.21.2111.9E389 G390 F394 N395 R396E389-R392 HydrophobicContact CB-CB 4.21Å; E389-R392 VanDerWaalsContact O-CB 3.27Å; E389-R392 WeakPolarHBondContact O-CB 3.5Å; E389-R392 WeakPolarHBondContact O-CG 3.32Å; E389-R392 PolarHBondContact O-N 2.98Å; G390-R392 PolarHBondContact O-N 3.16Å; G390-R392 VanDerWaalsContact O-N 3.16Å; R392-F394 VanDerWaalsContact C-N 3.31Å; R392-F394 PolarHBondContact O-N 2.94Å; R392-N395 PolarHBondContact O-N 3.49Å; R392-R396 PolarHBondContact O-N 3.29Å
393L82.3Confident82.9Confident8 Ų865.4 Ų65.44%0.04232%0.319CS..Hα-helixtrans-62-40.6176.4-174.666.9000111.6Y383 E384 G390 G391 N395 R396 Q397Y383-L393 HydrophobicContact CD1-CD2 3.72Å; Y383-L393 HydrophobicContact CE1-CD1 3.81Å; Y383-L393 HydrophobicContact CE1-CD2 3.61Å; Y383-L393 HydrophobicContact CE1-CG 4.38Å; E384-L393 HydrophobicContact CB-CD2 4.32Å; E384-L393 HydrophobicContact CG-CD2 3.66Å; G390-L393 PolarHBondContact O-N 2.76Å; G391-L393 VanDerWaalsContact C-N 3.28Å; G391-L393 PolarHBondContact O-N 3.46Å; L393-N395 VanDerWaalsContact C-N 3.32Å; L393-N395 PolarHBondContact O-N 3.48Å; L393-R396 PolarHBondContact O-N 2.97Å; L393-Q397 PolarHBondContact O-N 3.32Å; L393-Q397 VanDerWaalsContact O-N 3.09Å
394F84.4Confident83.2Confident2 Ų258.6 Ų58.61%0.00929%0.292CS..Hα-helixtrans-68.8-29.2176.9-70.7-88.9000113L329 M380 E384 G391 R392 Q397 R400 V404 L419L329-F394 HydrophobicContact CD1-CE2 4.14Å; M380-F394 HydrophobicContact CE-CE1 4.11Å; M380-F394 HydrophobicContact CE-CE2 4.17Å; M380-F394 HydrophobicContact CE-CZ 3.61Å; M380-F394 HydrophobicContact CG-CZ 3.97Å; M380-F394 HydrophobicContact SD-CE2 4.13Å; M380-F394 HydrophobicContact SD-CZ 3.62Å; E384-F394 HydrophobicContact CB-CE2 4.2Å; E384-F394 HydrophobicContact CB-CZ 3.97Å; E384-F394 HydrophobicContact CG-CE2 4.28Å; E384-F394 HydrophobicContact CG-CZ 3.91Å; G391-F394 PolarHBondContact O-N 3.4Å; R392-F394 VanDerWaalsContact C-N 3.31Å; R392-F394 PolarHBondContact O-N 2.94Å; F394-Q397 CarbonylContact O-C 3.5Å; F394-R400 HydrophobicContact CD1-CB 3.82Å; F394-R400 HydrophobicContact CE1-CB 3.92Å; F394-V404 HydrophobicContact CE1-CG2 4Å; F394-L419 HydrophobicContact CB-CD1 3.46Å; F394-L419 VanDerWaalsContact CB-CD1 3.46Å; F394-L419 HydrophobicContact CD1-CD1 4.37Å; F394-L419 HydrophobicContact CD2-CD1 3.99Å; F394-L419 HydrophobicContact CD2-CD2 3.78Å; F394-L419 HydrophobicContact CE2-CD2 4.1Å; F394-L419 HydrophobicContact CG-CD1 3.68Å; F394-L419 HydrophobicContact CG-CD2 4.29Å
395N81.5Confident83.4Confident127 Ų12758.9 Ų58.968%0.67929%0.294SS*.Hα-helixtrans-74.1-36.1174-69.7-22.7000112.1G391 R392 L393G391-N395 PolarHBondContact O-N 2.98Å; R392-N395 PolarHBondContact O-N 3.49Å; L393-N395 VanDerWaalsContact C-N 3.32Å; L393-N395 PolarHBondContact O-N 3.48Å
396R83.3Confident83.7Confident167 Ų16766.9 Ų66.963%0.6332%0.323SS*.Hα-helixtrans-69.8-37.5176-71.7-176.6179.6158.47.7112.4E389 R392 L393E389-R396 IonicContact OE1-CZ 3.28Å; E389-R396 VanDerWaalsContact OE1-CZ 3.28Å; E389-R396 IonicContact OE1-NH1 3.62Å; E389-R396 PolarHBondContact OE1-NH1 3.5Å; E389-R396 IonicContact OE1-NH2 3.03Å; E389-R396 PolarHBondContact OE1-NH2 2.94Å; E389-R396 IonicContact OE2-CZ 3.35Å; E389-R396 IonicContact OE2-NH1 3.36Å; E389-R396 PolarHBondContact OE2-NH1 3.21Å; E389-R396 IonicContact OE2-NH2 3.88Å; R392-R396 PolarHBondContact O-N 3.29Å; L393-R396 PolarHBondContact O-N 2.97Å
397Q86.3Confident84.1Confident99 Ų9966.2 Ų66.246%0.46333%0.334SS..  trans-125.681.7-177.6-68.2-174.6-10.800110.5L393 F394 G399 R400L393-Q397 PolarHBondContact O-N 3.32Å; L393-Q397 VanDerWaalsContact O-N 3.09Å; F394-Q397 CarbonylContact O-C 3.5Å; Q397-G399 PolarHBondContact O-N 3.23Å; Q397-R400 HydrophobicContact CB-CG 4.07Å; Q397-R400 WeakPolarHBondContact O-CB 3.47Å; Q397-R400 WeakPolarHBondContact O-CG 3.36Å; Q397-R400 PolarHBondContact O-N 2.79Å
398P85.8Confident84.7Confident91 Ų9166.4 Ų66.459%0.59134%0.336SS*.Hα-helixtrans-60.4-22-176.322.8-33.3000113.5R400 T401 L402P398-R400 PolarHBondContact O-N 3.42Å; P398-T401 WeakPolarHBondContact O-CB 3.24Å; P398-T401 PolarHBondContact O-N 2.97Å; P398-L402 PolarHBondContact O-N 3.14Å
399G89.7Confident85.7Confident53 Ų5364 Ų6455%0.54634%0.339SS..Hα-helixtrans-56.6-28.717200000113.8Q397 L402 R403Q397-G399 PolarHBondContact O-N 3.23Å; G399-L402 PolarHBondContact O-N 3.33Å; G399-R403 PolarHBondContact O-N 3.41Å
400R90.5Very high87Confident46 Ų4661.9 Ų61.917%0.17433%0.33CS..Hα-helixtrans-64.7-42.9174.5-63.4179.4-178.2-97.71.3111.6E384 F394 Q397 P398 L402 R403 V404E384-R400 WeakPolarHBondContact OE1-CD 3.22Å; E384-R400 IonicContact OE1-CZ 3.66Å; E384-R400 IonicContact OE1-NE 2.65Å; E384-R400 IonicContact OE1-NH1 3.76Å; E384-R400 PolarHBondContact OE1-NH1 3.48Å; F394-R400 HydrophobicContact CD1-CB 3.82Å; F394-R400 HydrophobicContact CE1-CB 3.92Å; Q397-R400 HydrophobicContact CB-CG 4.07Å; Q397-R400 WeakPolarHBondContact O-CB 3.47Å; Q397-R400 WeakPolarHBondContact O-CG 3.36Å; Q397-R400 PolarHBondContact O-N 2.79Å; P398-R400 PolarHBondContact O-N 3.42Å; R400-L402 VanDerWaalsContact C-N 3.28Å; R400-L402 PolarHBondContact O-N 3.13Å; R400-R403 PolarHBondContact O-N 3.23Å; R400-V404 WeakPolarHBondContact O-CG2 3.3Å; R400-V404 PolarHBondContact O-N 2.84Å
401T90.8Very high88.1Confident7 Ų764.2 Ų64.24%0.04335%0.346CS..Hα-helixtrans-59.7-42177.2-550000110.9P398 A405 Q412 V415P398-T401 WeakPolarHBondContact O-CB 3.24Å; P398-T401 PolarHBondContact O-N 2.97Å; T401-A405 WeakPolarHBondContact O-CB 3.4Å; T401-A405 PolarHBondContact O-N 3.28Å; T401-Q412 HydrophobicContact CG2-CB 4.21Å; T401-Q412 HydrophobicContact CG2-CG 4.45Å; T401-V415 HydrophobicContact CG2-CB 3.9Å; T401-V415 HydrophobicContact CG2-CG1 3.88Å
402L91.5Very high89.1Confident60 Ų6068.2 Ų68.231%0.31436%0.363SS..Hα-helixtrans-67-41.2177.8-17759000112.2P398 G399 R400 R406 Q412P398-L402 PolarHBondContact O-N 3.14Å; G399-L402 PolarHBondContact O-N 3.33Å; R400-L402 VanDerWaalsContact C-N 3.28Å; R400-L402 PolarHBondContact O-N 3.13Å; L402-R406 WeakPolarHBondContact O-CG 3.39Å; L402-R406 PolarHBondContact O-N 2.77Å; L402-R406 VanDerWaalsContact O-N 3.09Å; L402-Q412 HydrophobicContact CD1-CG 4.48Å
403R93.7Very high89.8Confident98 Ų9862.9 Ų62.937%0.3736%0.358SS..Hα-helixtrans-61.8-50.6175.8-170.7-15874.2-134.9-4.9111.5S379 E384 G399 R400 A405 R406 G407S379-R403 PolarHBondContact O-NH2 3.32Å; E384-R403 VanDerWaalsContact CD-NH2 3.35Å; E384-R403 IonicContact OE1-CZ 2.99Å; E384-R403 IonicContact OE1-NH1 2.81Å; E384-R403 PolarHBondContact OE1-NH1 3.13Å; E384-R403 IonicContact OE1-NH2 2.77Å; E384-R403 PolarHBondContact OE1-NH2 3.3Å; E384-R403 IonicContact OE2-CZ 3.63Å; E384-R403 IonicContact OE2-NH1 2.72Å; E384-R403 IonicContact OE2-NH2 2.92Å; E384-R403 PolarHBondContact OE2-NH2 3.17Å; G399-R403 PolarHBondContact O-N 3.41Å; R400-R403 PolarHBondContact O-N 3.23Å; R403-A405 PolarHBondContact O-N 3.41Å; R403-R406 PolarHBondContact O-N 3.46Å; R403-G407 PolarHBondContact O-N 3.09Å
404V93.2Very high90.2Very high0 Ų064.8 Ų64.80%037%0.366CS..Hα-helixtrans-60.7-44.7178.9170.10000111.1I376 M380 F394 R400 R406 G407 A408 V415I376-V404 HydrophobicContact CG2-CG1 3.62Å; I376-V404 WeakPolarHBondContact O-CG1 3.46Å; M380-V404 HydrophobicContact CE-CG1 4.24Å; M380-V404 HydrophobicContact CG-CG1 4.42Å; M380-V404 HydrophobicContact CG-CG2 3.87Å; F394-V404 HydrophobicContact CE1-CG2 4Å; R400-V404 WeakPolarHBondContact O-CG2 3.3Å; R400-V404 PolarHBondContact O-N 2.84Å; V404-R406 PolarHBondContact O-N 2.9Å; V404-G407 PolarHBondContact O-N 2.84Å; V404-A408 WeakPolarHBondContact O-CB 3.47Å; V404-A408 PolarHBondContact O-N 2.89Å; V404-V415 HydrophobicContact CB-CG1 4.47Å; V404-V415 HydrophobicContact CB-CG2 4.49Å; V404-V415 HydrophobicContact CG1-CG1 4.04Å; V404-V415 HydrophobicContact CG1-CG2 3.92Å
405A93.3Very high90.5Very high6 Ų664.7 Ų64.75%0.0537%0.366CS..Hα-helixtrans-58.7-44.9177.900000112.2T401 R403 G409 V410 Q412 V415T401-A405 WeakPolarHBondContact O-CB 3.4Å; T401-A405 PolarHBondContact O-N 3.28Å; R403-A405 PolarHBondContact O-N 3.41Å; A405-G409 PolarHBondContact O-N 3.19Å; A405-G409 VanDerWaalsContact O-N 3.12Å; A405-V410 CarbonylContact C-O 3.43Å; A405-V410 HydrophobicContact CB-CG2 4.48Å; A405-V410 WeakPolarHBondContact CB-O 3.46Å; A405-V410 PolarHBondContact O-N 3.31Å; A405-V410 VanDerWaalsContact O-O 3.06Å; A405-Q412 HydrophobicContact CB-CG 4.06Å; A405-V415 HydrophobicContact CB-CG2 3.96Å
406R93.2Very high90.9Very high184 Ų18464.3 Ų64.369%0.69436%0.358SS*.Hα-helixtrans-66.5-43.5176-68.6-179.5-155.9166.71.2112.5L402 R403 V404 G409L402-R406 WeakPolarHBondContact O-CG 3.39Å; L402-R406 PolarHBondContact O-N 2.77Å; L402-R406 VanDerWaalsContact O-N 3.09Å; R403-R406 PolarHBondContact O-N 3.46Å; V404-R406 PolarHBondContact O-N 2.9Å; R406-G409 PolarHBondContact O-N 3.3Å
407G92.7Very high91.2Very high57 Ų5760.8 Ų60.859%0.58835%0.351SS*.Hα-helixtrans-64.7-38.6-178.600000113.1S379 R403 V404S379-G407 VanDerWaalsContact OG-C 3.29Å; R403-G407 PolarHBondContact O-N 3.09Å; V404-G407 PolarHBondContact O-N 2.84Å
408A91.9Very high91.3Very high18 Ų1856.1 Ų56.115%0.14933%0.329CS..Hα-helixtrans-90.1-3.9-179.700000113.9T375 I376 S379 V404 V410T375-A408 HydrophobicContact CG2-CB 4.37Å; I376-A408 HydrophobicContact CB-CB 4.49Å; I376-A408 HydrophobicContact CG1-CB 4.11Å; S379-A408 PolarHBondContact OG-N 3.08Å; V404-A408 WeakPolarHBondContact O-CB 3.47Å; V404-A408 PolarHBondContact O-N 2.89Å; A408-V410 VanDerWaalsContact C-N 3.32Å; A408-V410 HydrophobicContact CB-CG1 4.28Å; A408-V410 HydrophobicContact CB-CG2 4.05Å; A408-V410 PolarHBondContact O-N 3.33Å
409G92.9Very high91.4Very high68 Ų6852.2 Ų52.270%0.70130%0.303SS*.THydrogen-bonded Turntrans64.633.9-175.800000113.5A405 R406A405-G409 PolarHBondContact O-N 3.19Å; A405-G409 VanDerWaalsContact O-N 3.12Å; R406-G409 PolarHBondContact O-N 3.3Å
410V93.1Very high91.3Very high19 Ų1952.9 Ų52.912%0.11530%0.297CS..  trans-119.8164.9-178-58.80000111.6I376 A405 A408 E414 V415I376-V410 HydrophobicContact CD1-CB 4.5Å; I376-V410 HydrophobicContact CD1-CG1 4.17Å; I376-V410 HydrophobicContact CD1-CG2 4.05Å; I376-V410 HydrophobicContact CG1-CG1 4.03Å; I376-V410 HydrophobicContact CG1-CG2 3.91Å; A405-V410 CarbonylContact C-O 3.43Å; A405-V410 HydrophobicContact CB-CG2 4.48Å; A405-V410 WeakPolarHBondContact CB-O 3.46Å; A405-V410 PolarHBondContact O-N 3.31Å; A405-V410 VanDerWaalsContact O-O 3.06Å; A408-V410 VanDerWaalsContact C-N 3.32Å; A408-V410 HydrophobicContact CB-CG1 4.28Å; A408-V410 HydrophobicContact CB-CG2 4.05Å; A408-V410 PolarHBondContact O-N 3.33Å; V410-E414 HydrophobicContact CB-CB 4.19Å; V410-E414 WeakPolarHBondContact CB-OE2 3.49Å; V410-E414 HydrophobicContact CG2-CB 4.43Å; V410-V415 HydrophobicContact CG2-CG2 3.83Å
411S93Very high91Very high54 Ų5454 Ų5438%0.37830%0.304SS..  trans-74.3154.3172.867.10000111.7A413 E414 V415S411-A413 PolarHBondContact O-N 3.43Å; S411-E414 PolarHBondContact N-OE2 3.14Å; S411-E414 WeakPolarHBondContact O-CB 3.49Å; S411-E414 PolarHBondContact O-N 3.33Å; S411-E414 VanDerWaalsContact OG-CG 3.28Å; S411-E414 WeakPolarHBondContact OG-CG 3.48Å; S411-E414 PolarHBondContact OG-N 3.18Å; S411-E414 PolarHBondContact OG-OE2 3.27Å; S411-V415 PolarHBondContact O-N 3.36Å
412Q91.8Very high90.7Very high90 Ų9054 Ų5442%0.42130%0.304SS..Hα-helixtrans-59.8-27.1172.2-64.7-179.145.600112.4T401 L402 A405 E414 V415 K416T401-Q412 HydrophobicContact CG2-CB 4.21Å; T401-Q412 HydrophobicContact CG2-CG 4.45Å; L402-Q412 HydrophobicContact CD1-CG 4.48Å; A405-Q412 HydrophobicContact CB-CG 4.06Å; Q412-E414 VanDerWaalsContact C-N 3.32Å; Q412-V415 PolarHBondContact O-N 3.44Å; Q412-K416 WeakPolarHBondContact O-CG 3.35Å; Q412-K416 PolarHBondContact O-N 3.16Å; Q412-K416 VanDerWaalsContact O-N 3.1Å
413A91.6Very high90.2Very high67 Ų6755.4 Ų55.455%0.55431%0.312SS*.Hα-helixtrans-64.8-37.7175.500000111.6S411 K416 L417S411-A413 PolarHBondContact O-N 3.43Å; A413-K416 PolarHBondContact O-N 3.26Å; A413-L417 WeakPolarHBondContact O-CB 3.47Å; A413-L417 PolarHBondContact O-N 3.18Å
414E90.2Very high89.7Confident48 Ų4857.6 Ų57.622%0.22432%0.324CS..Hα-helixtrans-70.8-36.9178.5-72.2168.2125.200112.3R372 I376 V410 S411 Q412 L417 L418R372-E414 IonicContact CZ-OE1 3.44Å; R372-E414 IonicContact NE-OE1 3.58Å; R372-E414 IonicContact NH1-OE1 2.76Å; R372-E414 PolarHBondContact NH1-OE1 3.44Å; R372-E414 VanDerWaalsContact NH2-CD 3.27Å; R372-E414 IonicContact NH2-OE1 3.25Å; R372-E414 PolarHBondContact NH2-OE1 3.45Å; R372-E414 IonicContact NH2-OE2 2.69Å; R372-E414 PolarHBondContact NH2-OE2 2.91Å; I376-E414 HydrophobicContact CD1-CB 4.44Å; V410-E414 HydrophobicContact CB-CB 4.19Å; V410-E414 WeakPolarHBondContact CB-OE2 3.49Å; V410-E414 HydrophobicContact CG2-CB 4.43Å; S411-E414 PolarHBondContact N-OE2 3.14Å; S411-E414 WeakPolarHBondContact O-CB 3.49Å; S411-E414 PolarHBondContact O-N 3.33Å; S411-E414 VanDerWaalsContact OG-CG 3.28Å; S411-E414 WeakPolarHBondContact OG-CG 3.48Å; S411-E414 PolarHBondContact OG-N 3.18Å; S411-E414 PolarHBondContact OG-OE2 3.27Å; Q412-E414 VanDerWaalsContact C-N 3.32Å; E414-L417 WeakPolarHBondContact O-CB 3.46Å; E414-L417 PolarHBondContact O-N 2.92Å; E414-L418 PolarHBondContact O-N 3.21Å
415V90.8Very high89Confident0 Ų060.2 Ų60.20%034%0.335CS..Hα-helixtrans-62.5-45.5171.9-175.60000110.4I376 T401 V404 A405 V410 S411 Q412 L417 L418 L419I376-V415 HydrophobicContact CG2-CG1 4.49Å; I376-V415 HydrophobicContact CG2-CG2 4.17Å; T401-V415 HydrophobicContact CG2-CB 3.9Å; T401-V415 HydrophobicContact CG2-CG1 3.88Å; V404-V415 HydrophobicContact CB-CG1 4.47Å; V404-V415 HydrophobicContact CB-CG2 4.49Å; V404-V415 HydrophobicContact CG1-CG1 4.04Å; V404-V415 HydrophobicContact CG1-CG2 3.92Å; A405-V415 HydrophobicContact CB-CG2 3.96Å; V410-V415 HydrophobicContact CG2-CG2 3.83Å; S411-V415 PolarHBondContact O-N 3.36Å; Q412-V415 PolarHBondContact O-N 3.44Å; V415-L417 VanDerWaalsContact C-N 3.28Å; V415-L417 PolarHBondContact O-N 3.03Å; V415-L418 WeakPolarHBondContact O-CB 3.38Å; V415-L418 PolarHBondContact O-N 3Å; V415-L419 WeakPolarHBondContact O-CG 3.3Å; V415-L419 PolarHBondContact O-N 3.05Å; V415-L419 VanDerWaalsContact O-N 3.1Å
416K89.8Confident88.3Confident119 Ų11962.9 Ų62.952%0.51735%0.345SS..Hα-helixtrans-62.4-36.1175.4-71.7177.9-179.2-178.60112.4Q412 A413 L419 T420Q412-K416 WeakPolarHBondContact O-CG 3.35Å; Q412-K416 PolarHBondContact O-N 3.16Å; Q412-K416 VanDerWaalsContact O-N 3.1Å; A413-K416 PolarHBondContact O-N 3.26Å; K416-L419 PolarHBondContact O-N 3.45Å; K416-T420 WeakPolarHBondContact O-CB 3.34Å; K416-T420 PolarHBondContact O-N 3.44Å; K416-T420 PolarHBondContact O-OG1 2.99Å
417L88.8Confident87.5Confident93 Ų9359.3 Ų59.349%0.48734%0.337SS..Hα-helixtrans-63.2-45.3175.1-177.564.2000110.9A413 E414 V415 L419 T420 Q421A413-L417 WeakPolarHBondContact O-CB 3.47Å; A413-L417 PolarHBondContact O-N 3.18Å; E414-L417 WeakPolarHBondContact O-CB 3.46Å; E414-L417 PolarHBondContact O-N 2.92Å; V415-L417 VanDerWaalsContact C-N 3.28Å; V415-L417 PolarHBondContact O-N 3.03Å; L417-L419 VanDerWaalsContact C-N 3.35Å; L417-L419 PolarHBondContact O-N 3.42Å; L417-T420 WeakPolarHBondContact O-CB 3.41Å; L417-T420 PolarHBondContact O-N 3.37Å; L417-T420 VanDerWaalsContact O-N 3.17Å; L417-Q421 HydrophobicContact CD1-CG 4.48Å; L417-Q421 HydrophobicContact CG-CG 4.47Å; L417-Q421 WeakPolarHBondContact O-CB 3.46Å; L417-Q421 VanDerWaalsContact O-CG 3.3Å; L417-Q421 WeakPolarHBondContact O-CG 3.49Å; L417-Q421 PolarHBondContact O-N 3.03Å
418L89.4Confident86.6Confident0 Ų060.8 Ų60.80%034%0.335CS..Hα-helixtrans-57-47.5175.1-177.7154000111.3L329 M332 L373 I376 M377 M380 E414 V415 T420 Q421 H422L329-L418 HydrophobicContact CD2-CD2 3.87Å; M332-L418 HydrophobicContact CE-CD2 3.98Å; M332-L418 HydrophobicContact CE-CG 4.23Å; L373-L418 HydrophobicContact CB-CD1 4.15Å; L373-L418 HydrophobicContact CD2-CB 3.91Å; L373-L418 HydrophobicContact CD2-CD1 3.78Å; L373-L418 HydrophobicContact CD2-CG 4Å; L373-L418 WeakPolarHBondContact O-CD1 3.43Å; I376-L418 HydrophobicContact CB-CD1 3.78Å; I376-L418 HydrophobicContact CD1-CD1 4.33Å; I376-L418 HydrophobicContact CG2-CD1 3.69Å; M377-L418 HydrophobicContact CG-CD1 3.9Å; M377-L418 HydrophobicContact CG-CD2 4.47Å; M380-L418 HydrophobicContact CE-CD2 4.22Å; E414-L418 PolarHBondContact O-N 3.21Å; V415-L418 WeakPolarHBondContact O-CB 3.38Å; V415-L418 PolarHBondContact O-N 3Å; L418-T420 VanDerWaalsContact C-N 3.28Å; L418-T420 PolarHBondContact O-N 3.25Å; L418-Q421 WeakPolarHBondContact O-CB 3.42Å; L418-Q421 PolarHBondContact O-N 3.29Å; L418-Q421 VanDerWaalsContact O-N 3.16Å; L418-H422 PolarHBondContact O-N 3.09Å
419L87.9Confident85.5Confident9 Ų961.1 Ų61.15%0.04734%0.335CS..Hα-helixtrans-62.8-36.3178.8-63177.6000112.3L329 F394 V415 K416 L417 N423L329-L419 HydrophobicContact CD1-CD2 4.25Å; F394-L419 HydrophobicContact CB-CD1 3.46Å; F394-L419 VanDerWaalsContact CB-CD1 3.46Å; F394-L419 HydrophobicContact CD1-CD1 4.37Å; F394-L419 HydrophobicContact CD2-CD1 3.99Å; F394-L419 HydrophobicContact CD2-CD2 3.78Å; F394-L419 HydrophobicContact CE2-CD2 4.1Å; F394-L419 HydrophobicContact CG-CD1 3.68Å; F394-L419 HydrophobicContact CG-CD2 4.29Å; V415-L419 WeakPolarHBondContact O-CG 3.3Å; V415-L419 PolarHBondContact O-N 3.05Å; V415-L419 VanDerWaalsContact O-N 3.1Å; K416-L419 PolarHBondContact O-N 3.45Å; L417-L419 VanDerWaalsContact C-N 3.35Å; L417-L419 PolarHBondContact O-N 3.42Å; L419-N423 PolarHBondContact O-N 3.43Å; L419-N423 PolarHBondContact O-ND2 3.16Å
420T86.5Confident84.4Confident68 Ų6864.1 Ų64.142%0.41733%0.328SS..Hα-helixtrans-68.7-41175.2-53.80000111.2K416 L417 L418 N423 K424K416-T420 WeakPolarHBondContact O-CB 3.34Å; K416-T420 PolarHBondContact O-N 3.44Å; K416-T420 PolarHBondContact O-OG1 2.99Å; L417-T420 WeakPolarHBondContact O-CB 3.41Å; L417-T420 PolarHBondContact O-N 3.37Å; L417-T420 VanDerWaalsContact O-N 3.17Å; L418-T420 VanDerWaalsContact C-N 3.28Å; L418-T420 PolarHBondContact O-N 3.25Å; T420-N423 PolarHBondContact O-N 3.5Å; T420-K424 WeakPolarHBondContact O-CG 3.28Å; T420-K424 PolarHBondContact O-N 2.83Å
421Q84.4Confident83.2Confident69 Ų6970.5 Ų70.532%0.32236%0.355SS..Hα-helixtrans-64.9-39.5175.9-74.1172.2-20.700111.6L417 L418 N423 K424 F425L417-Q421 HydrophobicContact CD1-CG 4.48Å; L417-Q421 HydrophobicContact CG-CG 4.47Å; L417-Q421 WeakPolarHBondContact O-CB 3.46Å; L417-Q421 VanDerWaalsContact O-CG 3.3Å; L417-Q421 WeakPolarHBondContact O-CG 3.49Å; L417-Q421 PolarHBondContact O-N 3.03Å; L418-Q421 WeakPolarHBondContact O-CB 3.42Å; L418-Q421 PolarHBondContact O-N 3.29Å; L418-Q421 VanDerWaalsContact O-N 3.16Å; Q421-N423 VanDerWaalsContact C-N 3.35Å; Q421-N423 PolarHBondContact O-N 3.18Å; Q421-K424 WeakPolarHBondContact O-CB 3.03Å; Q421-K424 PolarHBondContact O-N 3.35Å; Q421-K424 VanDerWaalsContact O-N 3.15Å; Q421-F425 WeakPolarHBondContact O-CB 3.17Å; Q421-F425 PolarHBondContact O-N 3.25Å
422H84.5Confident81.6Confident7 Ų774.2 Ų74.23%0.03237%0.368CS..Hα-helixtrans-57.4-45.6174.4175.267.7000112F327 T328 L329 M332 L418 K424 F425 Y426F327-H422 AromaticContact CD1-CE1 3.44Å; F327-H422 VanDerWaalsContact CD1-CE1 3.44Å; F327-H422 WeakPolarHBondContact CD1-CE1 3.44Å; F327-H422 AromaticContact CD1-ND1 3.97Å; F327-H422 AromaticContact CE1-CE1 3.65Å; F327-H422 AromaticContact CE1-ND1 3.75Å; F327-H422 PolarHBondContact O-CE1 3.42Å; F327-H422 PolarHBondContact O-NE2 3.39Å; T328-H422 PolarHBondContact O-CE1 3.15Å; L329-H422 HydrophobicContact CD2-CB 3.86Å; M332-H422 HydrophobicContact CE-CB 4.17Å; M332-H422 HydrophobicContact SD-CB 3.72Å; L418-H422 PolarHBondContact O-N 3.09Å; H422-K424 VanDerWaalsContact C-N 3.34Å; H422-K424 PolarHBondContact O-N 2.83Å; H422-F425 PolarHBondContact O-N 3.38Å; H422-Y426 WeakPolarHBondContact O-CB 3.41Å; H422-Y426 PolarHBondContact O-N 3.07Å
423N81.7Confident79.6Confident90 Ų9072.2 Ų72.248%0.48137%0.371SS..Hα-helixtrans-62.6-39.7175.9-70.8-35.2000112.6L419 T420 Q421 M427L419-N423 PolarHBondContact O-N 3.43Å; L419-N423 PolarHBondContact O-ND2 3.16Å; T420-N423 PolarHBondContact O-N 3.5Å; Q421-N423 VanDerWaalsContact C-N 3.35Å; Q421-N423 PolarHBondContact O-N 3.18Å; N423-M427 WeakPolarHBondContact O-CG 3.41Å; N423-M427 PolarHBondContact O-N 2.79Å
424K82.1Confident77.2Confident143 Ų14371.7 Ų71.762%0.62237%0.372SS*.Hα-helixtrans-65.9-42.8175.2-69.1177.3180-178.40111.2T420 Q421 H422 M427 V428T420-K424 WeakPolarHBondContact O-CG 3.28Å; T420-K424 PolarHBondContact O-N 2.83Å; Q421-K424 WeakPolarHBondContact O-CB 3.03Å; Q421-K424 PolarHBondContact O-N 3.35Å; Q421-K424 VanDerWaalsContact O-N 3.15Å; H422-K424 VanDerWaalsContact C-N 3.34Å; H422-K424 PolarHBondContact O-N 2.83Å; K424-M427 WeakPolarHBondContact O-CB 3.47Å; K424-M427 PolarHBondContact O-N 3.18Å; K424-V428 WeakPolarHBondContact O-CG2 3.42Å; K424-V428 PolarHBondContact O-N 3.47Å; K424-V428 VanDerWaalsContact O-N 3.13Å
425F79.3Confident74.9Confident56 Ų5672.8 Ų72.825%0.24638%0.379CS..Hα-helixtrans-63.4-44.8178.7-165.1-91.9000110.9F327 M332 Q335 F336 Q421 H422 M427 V428 V429F327-F425 AromaticContact CE1-CD1 3.61Å; F327-F425 HydrophobicContact CE1-CD1 3.61Å; F327-F425 HydrophobicContact CE1-CE1 4.21Å; F327-F425 HydrophobicContact CE2-CD1 4.42Å; F327-F425 HydrophobicContact CE2-CE1 4.3Å; F327-F425 AromaticContact CZ-CD1 3.41Å; F327-F425 HydrophobicContact CZ-CD1 3.41Å; F327-F425 VanDerWaalsContact CZ-CD1 3.41Å; F327-F425 AromaticContact CZ-CE1 3.52Å; F327-F425 HydrophobicContact CZ-CE1 3.52Å; M332-F425 HydrophobicContact CG-CD1 4.32Å; Q335-F425 HydrophobicContact CB-CE1 4.44Å; Q335-F425 HydrophobicContact CB-CZ 4.23Å; Q335-F425 HydrophobicContact CG-CE1 4.32Å; Q335-F425 HydrophobicContact CG-CZ 4.43Å; F336-F425 HydrophobicContact CE1-CE2 4.43Å; Q421-F425 WeakPolarHBondContact O-CB 3.17Å; Q421-F425 PolarHBondContact O-N 3.25Å; H422-F425 PolarHBondContact O-N 3.38Å; F425-M427 VanDerWaalsContact C-N 3.3Å; F425-M427 PolarHBondContact O-N 2.95Å; F425-V428 PolarHBondContact O-N 3.21Å; F425-V428 VanDerWaalsContact O-N 3.09Å; F425-V429 HydrophobicContact CD1-CG2 3.62Å; F425-V429 HydrophobicContact CE1-CG2 3.39Å; F425-V429 HydrophobicContact CG-CG2 4.48Å; F425-V429 HydrophobicContact CZ-CG2 4.09Å; F425-V429 WeakPolarHBondContact O-CG2 3.28Å; F425-V429 PolarHBondContact O-N 2.77Å
426Y79Confident72.4Confident62 Ų6278.3 Ų78.324%0.24340%0.403CS..Hα-helixtrans-54.6-44.3172.7175.2-120.3000112.5G325 F327 H422 V428 V429 K430G325-Y426 PolarHBondContact O-OH 3.29Å; F327-Y426 HydrophobicContact CB-CD2 3.2Å; F327-Y426 HydrophobicContact CB-CE2 3.52Å; F327-Y426 HydrophobicContact CB-CG 4.24Å; F327-Y426 HydrophobicContact CD1-CD2 4.03Å; F327-Y426 HydrophobicContact CD1-CG 4.45Å; F327-Y426 AromaticContact CG-CD2 3.79Å; F327-Y426 HydrophobicContact CG-CD2 3.79Å; H422-Y426 WeakPolarHBondContact O-CB 3.41Å; H422-Y426 PolarHBondContact O-N 3.07Å; Y426-V428 VanDerWaalsContact C-N 3.31Å; Y426-V428 PolarHBondContact O-N 3.13Å; Y426-V429 PolarHBondContact O-N 3.41Å; Y426-K430 HydrophobicContact CE1-CD 4.47Å; Y426-K430 VanDerWaalsContact O-CB 3.22Å; Y426-K430 WeakPolarHBondContact O-CB 3.31Å; Y426-K430 PolarHBondContact O-N 2.98Å
427M75.9Confident69.9Low109 Ų10975 Ų7554%0.53740%0.402SS..Hα-helixtrans-62.3-37.8177.5-72-69.2-74.700112.7N423 K424 F425 K431N423-M427 WeakPolarHBondContact O-CG 3.41Å; N423-M427 PolarHBondContact O-N 2.79Å; K424-M427 WeakPolarHBondContact O-CB 3.47Å; K424-M427 PolarHBondContact O-N 3.18Å; F425-M427 VanDerWaalsContact C-N 3.3Å; F425-M427 PolarHBondContact O-N 2.95Å; M427-K431 WeakPolarHBondContact O-CG 3.46Å; M427-K431 PolarHBondContact O-N 3.42Å
428V73.9Confident67.4Low88 Ų8877.1 Ų77.153%0.53341%0.414SS..Hα-helixtrans-68.8-50.1175.8174.70000110.4K424 F425 Y426 K430 K431 M432K424-V428 WeakPolarHBondContact O-CG2 3.42Å; K424-V428 PolarHBondContact O-N 3.47Å; K424-V428 VanDerWaalsContact O-N 3.13Å; F425-V428 PolarHBondContact O-N 3.21Å; F425-V428 VanDerWaalsContact O-N 3.09Å; Y426-V428 VanDerWaalsContact C-N 3.31Å; Y426-V428 PolarHBondContact O-N 3.13Å; V428-K430 VanDerWaalsContact C-N 3.31Å; V428-K430 PolarHBondContact O-N 3.29Å; V428-K431 WeakPolarHBondContact O-CB 3.49Å; V428-K431 PolarHBondContact O-N 3.38Å; V428-K431 VanDerWaalsContact O-N 3.11Å; V428-M432 PolarHBondContact O-N 2.98Å
429V69.2Low64.8Low25 Ų2584.9 Ų84.915%0.15245%0.447CS..Hα-helixtrans-62.2-38.8-179.6179.50000111.4L322 F327 F425 Y426 K431 M432 G433L322-V429 HydrophobicContact CD1-CG1 3.63Å; L322-V429 HydrophobicContact CD2-CG1 3.43Å; L322-V429 VanDerWaalsContact CD2-CG1 3.43Å; L322-V429 HydrophobicContact CG-CG1 4.18Å; F327-V429 HydrophobicContact CD2-CG1 4.47Å; F327-V429 HydrophobicContact CE2-CG1 4.42Å; F327-V429 HydrophobicContact CE2-CG2 4.37Å; F327-V429 HydrophobicContact CZ-CG2 4.47Å; F425-V429 HydrophobicContact CD1-CG2 3.62Å; F425-V429 HydrophobicContact CE1-CG2 3.39Å; F425-V429 HydrophobicContact CG-CG2 4.48Å; F425-V429 HydrophobicContact CZ-CG2 4.09Å; F425-V429 WeakPolarHBondContact O-CG2 3.28Å; F425-V429 PolarHBondContact O-N 2.77Å; Y426-V429 PolarHBondContact O-N 3.41Å; V429-K431 PolarHBondContact O-N 3.09Å; V429-M432 PolarHBondContact O-N 3.41Å; V429-G433 PolarHBondContact O-N 2.82Å
430K69Low62.5Low130 Ų13091.1 Ų91.157%0.56548%0.477SS*.Hα-helixtrans-61.8-41.6174.5-175.3174.9-178.8172.20112.2Y426 V428 G434Y426-K430 HydrophobicContact CE1-CD 4.47Å; Y426-K430 VanDerWaalsContact O-CB 3.22Å; Y426-K430 WeakPolarHBondContact O-CB 3.31Å; Y426-K430 PolarHBondContact O-N 2.98Å; V428-K430 VanDerWaalsContact C-N 3.31Å; V428-K430 PolarHBondContact O-N 3.29Å; K430-G434 PolarHBondContact O-N 3.04Å
431K69.1Low60Low154 Ų15493.6 Ų93.667%0.6749%0.491SS*.Hα-helixtrans-65.6-40.8173.6-75.7-178.5177.8-173.80111.3M427 V428 V429 G434 I435M427-K431 WeakPolarHBondContact O-CG 3.46Å; M427-K431 PolarHBondContact O-N 3.42Å; V428-K431 WeakPolarHBondContact O-CB 3.49Å; V428-K431 PolarHBondContact O-N 3.38Å; V428-K431 VanDerWaalsContact O-N 3.11Å; V429-K431 PolarHBondContact O-N 3.09Å; K431-G434 PolarHBondContact O-N 3.45Å; K431-I435 WeakPolarHBondContact O-CG1 3.46Å; K431-I435 PolarHBondContact O-N 3.42Å
432M57.9Low57.7Low132 Ų13292.9 Ų92.965%0.6550%0.503SS*.Hα-helixtrans-71-34.4-179.6-140170.39400113V428 V429 G434 I435V428-M432 PolarHBondContact O-N 2.98Å; V429-M432 PolarHBondContact O-N 3.41Å; M432-G434 VanDerWaalsContact C-N 3.25Å; M432-G434 PolarHBondContact O-N 2.75Å; M432-I435 HydrophobicContact CG-CD1 4.47Å; M432-I435 WeakPolarHBondContact O-CB 3.5Å; M432-I435 PolarHBondContact O-N 2.76Å
433G51.6Low55.3Low48 Ų4897.8 Ų97.850%0.49554%0.538SS..Hα-helixtrans-64.3-28.5172.400000113.3V429 I435V429-G433 PolarHBondContact O-N 2.82Å; G433-I435 VanDerWaalsContact C-N 3.34Å
434G40.8Very low53.1Low56 Ų56103.4 Ų103.458%0.57756%0.558SS**Hα-helixtrans-73.2-24.2170.300000113.8K430 K431 M432 K436 G437K430-G434 PolarHBondContact O-N 3.04Å; K431-G434 PolarHBondContact O-N 3.45Å; M432-G434 VanDerWaalsContact C-N 3.25Å; M432-G434 PolarHBondContact O-N 2.75Å; G434-K436 PolarHBondContact O-N 2.85Å; G434-G437 PolarHBondContact O-N 2.69Å
435I40.3Very low50.6Low70 Ų70101.9 Ų101.936%0.35957%0.565SS.*Hα-helixtrans-73-13.3-177.9-70.9171.2000112.4K431 M432 G433 G437 L438 F439K431-I435 WeakPolarHBondContact O-CG1 3.46Å; K431-I435 PolarHBondContact O-N 3.42Å; M432-I435 HydrophobicContact CG-CD1 4.47Å; M432-I435 WeakPolarHBondContact O-CB 3.5Å; M432-I435 PolarHBondContact O-N 2.76Å; G433-I435 VanDerWaalsContact C-N 3.34Å; I435-G437 PolarHBondContact O-N 2.65Å; I435-G437 VanDerWaalsContact O-N 3.13Å; I435-L438 HydrophobicContact CG2-CB 4.39Å; I435-L438 WeakPolarHBondContact O-CA 3.45Å; I435-L438 WeakPolarHBondContact O-CB 3.42Å; I435-L438 PolarHBondContact O-N 3.2Å; I435-F439 HydrophobicContact CG2-CD2 3.38Å; I435-F439 HydrophobicContact CG2-CE2 3.48Å; I435-F439 VanDerWaalsContact CG2-CE2 3.48Å; I435-F439 PolarHBondContact O-N 3.17Å; I435-F439 VanDerWaalsContact O-N 3.13Å
436K39.6Very low48.4Very low117 Ų117103 Ų10351%0.50959%0.593SS.*Hα-helixtrans-60.3-23.8172.3-145.1170.7-173170.70112.3G434 Q440G434-K436 PolarHBondContact O-N 2.85Å; K436-Q440 WeakPolarHBondContact O-CB 3.4Å; K436-Q440 PolarHBondContact O-N 2.99Å
437G36.6Very low46.2Very low49 Ų49105.2 Ų105.251%0.50562%0.624SS.*Hα-helixtrans-72.8-23.2169.500000115G434 I435 T441G434-G437 PolarHBondContact O-N 2.69Å; I435-G437 PolarHBondContact O-N 2.65Å; I435-G437 VanDerWaalsContact O-N 3.13Å; G437-T441 PolarHBondContact O-OG1 3.44Å
438L35.8Very low44.2Very low138 Ų138109.5 Ų109.572%0.72365%0.645SS**Hα-helixtrans-87-26.1175.9-113.286.3000113.1I435 T441I435-L438 HydrophobicContact CG2-CB 4.39Å; I435-L438 WeakPolarHBondContact O-CA 3.45Å; I435-L438 WeakPolarHBondContact O-CB 3.42Å; I435-L438 PolarHBondContact O-N 3.2Å; L438-T441 PolarHBondContact O-OG1 2.8Å
439F36.1Very low42.3Very low162 Ų162109.4 Ų109.471%0.71166%0.662SS**Hα-helixtrans-96.3-20.7178-80.3-94.4000113.7I435 T441I435-F439 HydrophobicContact CG2-CD2 3.38Å; I435-F439 HydrophobicContact CG2-CE2 3.48Å; I435-F439 VanDerWaalsContact CG2-CE2 3.48Å; I435-F439 PolarHBondContact O-N 3.17Å; I435-F439 VanDerWaalsContact O-N 3.13Å; F439-T441 VanDerWaalsContact C-N 3.32Å
440Q40.2Very low40.7Very low141 Ų141111.9 Ų111.966%0.65969%0.693SS**G310 helixtrans-80.2-7.6171.5-90.9-174.7-41.300114.6K436 G442K436-Q440 WeakPolarHBondContact O-CB 3.4Å; K436-Q440 PolarHBondContact O-N 2.99Å; Q440-G442 VanDerWaalsContact C-N 3.27Å; Q440-G442 PolarHBondContact O-N 3.42Å
441T33.5Very low39.1Very low119 Ų119114.5 Ų114.573%0.7371%0.711SS**G310 helixtrans-84.33.4177.327.40000113.7G437 L438 F439G437-T441 PolarHBondContact O-OG1 3.44Å; L438-T441 PolarHBondContact O-OG1 2.8Å; F439-T441 VanDerWaalsContact C-N 3.32Å
442G35.1Very low37.5Very low55 Ų55110.8 Ų110.857%0.56772%0.716SS**G310 helixtrans-109.5-2.7178.400000116.6Q440Q440-G442 VanDerWaalsContact C-N 3.27Å; Q440-G442 PolarHBondContact O-N 3.42Å
443S34.2Very low36.4Very low110 Ų110108.5 Ų108.577%0.76973%0.727SS**SBendtrans-116.823.1-174.1-56.30000114.4
444K35.1Very low36Very low207 Ų207109.9 Ų109.990%0.974%0.741SS**SBendtrans-119.818.8172.4-78-166.2176.9-175.50114.4
445S30.6Very low35.8Very low111 Ų111113.8 Ų113.878%0.77676%0.757SS**SBendtrans-11488.1170.4570000109.3
446G32.7Very low35.8Very low80 Ų80114.6 Ų114.683%0.82578%0.782SS**  trans-177-7.6-179.800000116.3
447A34.3Very low35.8Very low109 Ų109113 Ų11390%0.90180%0.798SS**  trans-107.871.3174.100000110.2
448M32.4Very low35.9Very low199 Ų199118 Ų11898%0.9882%0.819SS**  trans-130.889.6166.1-156.7173.5-162.200107
449G34.5Very low36Very low85 Ų85115.1 Ų115.188%0.87682%0.822SS**  trans177.187.6-176.900000110.2
450G35.5Very low36.1Very low78 Ų78113.3 Ų113.380%0.80483%0.83SS**  trans170.868.8179.500000112.1
451I35.1Very low36Very low184 Ų184110.2 Ų110.294%0.94484%0.835SS**  trans-78.4129.2166.6-69.6171.4000108
452G34.8Very low36.1Very low76 Ų76108.6 Ų108.678%0.78484%0.843SS**  trans136.8120.3173.300000109.1
453G36.7Very low36.1Very low84 Ų84109.8 Ų109.887%0.86686%0.855SS**  cis144.5115.816.300000105.1
454G42.5Very low36.2Very low78 Ų78109.6 Ų109.680%0.80486%0.86SS**  trans146.7110.9174.200000114.3
455P35.7Very low36.1Very low138 Ų138103.9 Ų103.990%0.89686%0.86SS**  trans-98140.4173.334.7-26.1000111.3
456G40.4Very low36.2Very low86 Ų86102.5 Ų102.589%0.88786%0.863SS**  trans163130.7164.900000114.1
457G39.2Very low36.1Very low83 Ų83105 Ų10586%0.85687%0.868SS**  trans128.986.8156.200000115.4
458V39.8Very low36Very low155 Ų155103.2 Ų103.294%0.93986%0.86SS**  trans-67137.6172.1174.60000110.9
459G37.9Very low36.5Very low77 Ų77101.2 Ų101.279%0.79485%0.853SS**  trans-161.298173.100000112.4
460S38.9Very low36.6Very low125 Ų125103.4 Ų103.487%0.87485%0.85SS**  trans-70.7139.6-177.9153.60000113.4
461G38Very low36.9Very low75 Ų75103.3 Ų103.377%0.77384%0.835SS**  trans-173.898.9164.300000111.5
462G34.2Very low37.5Very low86 Ų8698.2 Ų98.289%0.88782%0.816SS**  trans-75.5157.7-17400000115.1
463G34.6Very low37.8Very low80 Ų80102.1 Ų102.183%0.82582%0.818SS**  trans176.386.917400000113.3
464A37Very low38.1Very low106 Ų106101.7 Ų101.788%0.87681%0.806SS**  trans13127.2157.700000122
465G32.5Very low38.2Very low87 Ų87104.1 Ų104.190%0.89780%0.797SS**  104.1112.712300000118.2
466G32.8Very low38.3Very low82 Ų82104.5 Ų104.585%0.84579%0.788SS**  trans13681.5156.900000116.1
467S31.7Very low38.2Very low133 Ų133103.5 Ų103.593%0.9377%0.771SS**  trans-63.6133.5166.8158.10000111.7
468G32.5Very low38.5Very low70 Ų70103 Ų10372%0.72276%0.76SS**  trans-173.584.7175.500000113.5
469N42.4Very low38.5Very low158 Ų15899.4 Ų99.485%0.84575%0.746SS**  trans-30.2125.4172.1-14741.4000115.8
470T36.7Very low38.5Very low131 Ų131100.3 Ų100.380%0.80474%0.74SS**PPolyproline II helixtrans-88.8120165.534.90000110.1
471P42.1Very low38.6Very low75 Ų75104.9 Ų104.949%0.48774%0.738SS.*PPolyproline II helixtrans-77.4145.8174.411.90.7000111.4E475P471-E475 HydrophobicContact CB-CB 4.41Å; P471-E475 WeakPolarHBondContact CB-OE2 3.46Å
472S46.2Very low38.8Very low77 Ų77106 Ų10654%0.53873%0.734SS.*PPolyproline II helixtrans-64.6157.7-174.970.60000113.8A474 E475S472-A474 PolarHBondContact O-N 3.22Å; S472-E475 PolarHBondContact O-N 2.95Å
473L41.3Very low39.4Very low158 Ų158106.7 Ų106.783%0.82772%0.721SS**Hα-helixtrans-52-20.5179.4-104.4111.4000114.9A477L473-A477 PolarHBondContact O-N 3.1Å
474A44Very low39.8Very low76 Ų76105.6 Ų105.663%0.62870%0.701SS**Hα-helixtrans-72.4-32.3177.100000112.9S472S472-A474 PolarHBondContact O-N 3.22Å
475E43.9Very low40.3Very low128 Ų128104.7 Ų104.760%0.59869%0.693SS**Hα-helixtrans-78.7-28177.6-75.6176.4133.500112P471 S472 A477 A478P471-E475 HydrophobicContact CB-CB 4.41Å; P471-E475 WeakPolarHBondContact CB-OE2 3.46Å; S472-E475 PolarHBondContact O-N 2.95Å; E475-A477 VanDerWaalsContact C-N 3.31Å; E475-A477 PolarHBondContact O-N 3.38Å; E475-A478 PolarHBondContact O-N 3.25Å
476M37.2Very low41.7Very low147 Ų147102.9 Ų102.972%0.72467%0.674SS**Hα-helixtrans-68-28.3172-79.1-170.7179.500113.2
477A39.5Very low42.7Very low64 Ų64104.8 Ų104.853%0.52966%0.661SS.*Hα-helixtrans-74.6-24.5178.800000113.2L473 E475 S480L473-A477 PolarHBondContact O-N 3.1Å; E475-A477 VanDerWaalsContact C-N 3.31Å; E475-A477 PolarHBondContact O-N 3.38Å; A477-S480 PolarHBondContact O-OG 3.32Å
478A45.3Very low43.3Very low74 Ų74100.5 Ų100.561%0.61263%0.627SS**Hα-helixtrans-81.2-25.4178.100000113.4E475 S480E475-A478 PolarHBondContact O-N 3.25Å; A478-S480 PolarHBondContact O-N 3.46Å
479A39.1Very low44.8Very low79 Ų7999.6 Ų99.665%0.65361%0.613SS**THydrogen-bonded Turntrans-75.6-3.8-176.900000114.9
480S39.7Very low45.7Very low95 Ų9599.6 Ų99.666%0.66461%0.605SS**THydrogen-bonded Turntrans-88.1-0.8-179.7620000114.8A477 A478A477-S480 PolarHBondContact O-OG 3.32Å; A478-S480 PolarHBondContact O-N 3.46Å
481R39.6Very low46.5Very low222 Ų22297.9 Ų97.984%0.83859%0.591SS**SBendtrans-106.917-171.1-64.6-167.3-160-162.75.3116.9
482S42Very low47.4Very low99 Ų9995.4 Ų95.469%0.69257%0.573SS**  trans-126.974.5178.266.60000112.9S484S482-S484 PolarHBondContact O-N 3.39Å
483V47Very low48.4Very low100 Ų10098.3 Ų98.361%0.60658%0.578SS**  trans-73.2102.1151.9-177.10000106.1A485 M488V483-A485 PolarHBondContact O-N 3.25Å; V483-M488 HydrophobicContact CG1-CG 3.81Å
484S43.1Very low49.5Very low57 Ų5793.7 Ų93.740%0.39956%0.559SS.*  trans-55.9136.9178.868.50000110.7S482 G486 Q487 M488S482-S484 PolarHBondContact O-N 3.39Å; S484-G486 PolarHBondContact O-N 3.42Å; S484-Q487 PolarHBondContact O-N 3.18Å; S484-Q487 PolarHBondContact OG-N 3.19Å; S484-Q487 PolarHBondContact OG-OE1 3.27Å; S484-M488 PolarHBondContact O-N 3.16Å
485A47.7Very low49.8Very low87 Ų8794.1 Ų94.172%0.71955%0.549SS*.Hα-helixtrans-52.3-28.6178.100000112.8V483 A489V483-A485 PolarHBondContact O-N 3.25Å; A485-A489 WeakPolarHBondContact O-CB 3.5Å; A485-A489 PolarHBondContact O-N 3.49Å
486G62.4Low50.6Low48 Ų4889.9 Ų89.950%0.49554%0.536SS..Hα-helixtrans-69.9-33.8176.200000114.9S484 K490S484-G486 PolarHBondContact O-N 3.42Å; G486-K490 PolarHBondContact O-N 2.88Å
487Q53.3Low52Low122 Ų12291.6 Ų91.657%0.5754%0.54SS*.Hα-helixtrans-74.8-38.2175.2-82.4172.5-46.500111.6S484 A489 K490 L491S484-Q487 PolarHBondContact O-N 3.18Å; S484-Q487 PolarHBondContact OG-N 3.19Å; S484-Q487 PolarHBondContact OG-OE1 3.27Å; Q487-A489 VanDerWaalsContact C-N 3.33Å; Q487-A489 PolarHBondContact O-N 2.92Å; Q487-K490 PolarHBondContact O-N 3.14Å; Q487-L491 WeakPolarHBondContact O-CB 3.27Å; Q487-L491 PolarHBondContact O-N 3.21Å
488M45.2Very low53.2Low43 Ų4394.7 Ų94.721%0.21255%0.552CS.*Hα-helixtrans-60.5-40.1170.8-91.4-95.3-83.800112V483 S484 L491 N492 M517V483-M488 HydrophobicContact CG1-CG 3.81Å; S484-M488 PolarHBondContact O-N 3.16Å; M488-L491 PolarHBondContact O-N 3.02Å; M488-N492 WeakPolarHBondContact O-CB 3.29Å; M488-N492 PolarHBondContact O-N 2.81Å; M488-M517 HydrophobicContact CE-CE 4.31Å; M488-M517 HydrophobicContact SD-CE 3.43Å; M488-M517 WeakPolarHBondContact SD-CE 3.34Å; M488-M517 HydrophobicContact SD-SD 4.5Å
489A63.5Low53.6Low52 Ų5293.5 Ų93.543%0.4354%0.535SS..Hα-helixtrans-63.8-41.7176.100000112.7A485 Q487 N492 Q493A485-A489 WeakPolarHBondContact O-CB 3.5Å; A485-A489 PolarHBondContact O-N 3.49Å; Q487-A489 VanDerWaalsContact C-N 3.33Å; Q487-A489 PolarHBondContact O-N 2.92Å; A489-N492 PolarHBondContact O-N 2.98Å; A489-Q493 PolarHBondContact O-N 2.96Å
490K62.1Low54.5Low158 Ų15893.9 Ų93.969%0.68753%0.526SS*.Hα-helixtrans-66.3-37.9174.3-77-177.5178.1178.50112.2G486 Q487 Q493 S494G486-K490 PolarHBondContact O-N 2.88Å; Q487-K490 PolarHBondContact O-N 3.14Å; K490-Q493 PolarHBondContact O-N 3.31Å; K490-S494 WeakPolarHBondContact O-CB 3.43Å; K490-S494 PolarHBondContact O-N 3.05Å; K490-S494 PolarHBondContact O-OG 3.36Å
491L52.7Low55.5Low95 Ų9594.3 Ų94.350%0.49753%0.527SS..Hα-helixtrans-65.1-45.4175.4-124.1143.5000111Q487 M488 Q493 S494 M495Q487-L491 WeakPolarHBondContact O-CB 3.27Å; Q487-L491 PolarHBondContact O-N 3.21Å; M488-L491 PolarHBondContact O-N 3.02Å; L491-Q493 PolarHBondContact O-N 3.16Å; L491-S494 PolarHBondContact O-N 3.19Å; L491-S494 VanDerWaalsContact O-N 3.16Å; L491-S494 PolarHBondContact O-OG 2.95Å; L491-M495 HydrophobicContact CD2-CG 4.4Å; L491-M495 HydrophobicContact CD2-SD 4.23Å; L491-M495 WeakPolarHBondContact O-CG 3.28Å; L491-M495 PolarHBondContact O-N 3.37Å
492N61.1Low56.9Low23 Ų2393.3 Ų93.312%0.12352%0.523CS..Hα-helixtrans-59.5-44.2174.3-78.6-11000112.4M488 A489 S494 M495 A496 M517M488-N492 WeakPolarHBondContact O-CB 3.29Å; M488-N492 PolarHBondContact O-N 2.81Å; A489-N492 PolarHBondContact O-N 2.98Å; N492-S494 VanDerWaalsContact C-N 3.32Å; N492-S494 PolarHBondContact O-N 3.47Å; N492-M495 PolarHBondContact O-N 3.23Å; N492-A496 WeakPolarHBondContact O-CB 3.42Å; N492-A496 PolarHBondContact O-N 2.88Å; N492-M517 VanDerWaalsContact OD1-CE 3.26Å; N492-M517 WeakPolarHBondContact OD1-CE 3.34Å
493Q68Low58Low137 Ų13792.1 Ų92.164%0.6451%0.508SS*.Hα-helixtrans-64.1-36175.3-88.5-173.4-5.500112.8A489 K490 L491 K497A489-Q493 PolarHBondContact O-N 2.96Å; K490-Q493 PolarHBondContact O-N 3.31Å; L491-Q493 PolarHBondContact O-N 3.16Å; Q493-K497 PolarHBondContact O-N 3.1Å
494S64.2Low58.7Low61 Ų6189.3 Ų89.343%0.42749%0.489SS..Hα-helixtrans-72.8-37.5177.971.10000112.5K490 L491 N492 K497 V498K490-S494 WeakPolarHBondContact O-CB 3.43Å; K490-S494 PolarHBondContact O-N 3.05Å; K490-S494 PolarHBondContact O-OG 3.36Å; L491-S494 PolarHBondContact O-N 3.19Å; L491-S494 VanDerWaalsContact O-N 3.16Å; L491-S494 PolarHBondContact O-OG 2.95Å; N492-S494 VanDerWaalsContact C-N 3.32Å; N492-S494 PolarHBondContact O-N 3.47Å; S494-K497 PolarHBondContact O-N 3.48Å; S494-V498 WeakPolarHBondContact O-CG2 3.43Å
495M50.5Low60Low85 Ų8594.3 Ų94.342%0.41951%0.506SS..Hα-helixtrans-70.8-37.1177.1-70.6-166.979.900112L491 N492 K497 V498 L499L491-M495 HydrophobicContact CD2-CG 4.4Å; L491-M495 HydrophobicContact CD2-SD 4.23Å; L491-M495 WeakPolarHBondContact O-CG 3.28Å; L491-M495 PolarHBondContact O-N 3.37Å; N492-M495 PolarHBondContact O-N 3.23Å; M495-K497 PolarHBondContact O-N 2.87Å; M495-V498 PolarHBondContact O-N 3.18Å; M495-V498 VanDerWaalsContact O-N 3.09Å; M495-L499 HydrophobicContact CB-CD1 4.46Å; M495-L499 WeakPolarHBondContact O-CG 3.21Å; M495-L499 PolarHBondContact O-N 2.88Å
496A59.5Low60.9Low40 Ų4098.5 Ų98.533%0.33151%0.511SS..Hα-helixtrans-62.1-26.8175.400000113.4N492N492-A496 WeakPolarHBondContact O-CB 3.42Å; N492-A496 PolarHBondContact O-N 2.88Å
497K66.5Low60.8Low183 Ų18398.9 Ų98.980%0.79650%0.501SS*.THydrogen-bonded Turntrans-82.5-15.2176.3-71.5-178.5-179.8-177.20114Q493 S494 M495Q493-K497 PolarHBondContact O-N 3.1Å; S494-K497 PolarHBondContact O-N 3.48Å; M495-K497 PolarHBondContact O-N 2.87Å
498V65.1Low61.8Low128 Ų12895.5 Ų95.578%0.77650%0.498SS*.THydrogen-bonded Turntrans-105.5-21.7-175.8179.20000111.8S494 M495S494-V498 WeakPolarHBondContact O-CG2 3.43Å; M495-V498 PolarHBondContact O-N 3.18Å; M495-V498 VanDerWaalsContact O-N 3.09Å
499L53.7Low63.2Low49 Ų4994.6 Ų94.626%0.25750%0.5SS..SBendtrans-79130.1177.7-76.5160.2000111.3M495 I503 L504 L513M495-L499 HydrophobicContact CB-CD1 4.46Å; M495-L499 WeakPolarHBondContact O-CG 3.21Å; M495-L499 PolarHBondContact O-N 2.88Å; L499-I503 HydrophobicContact CD2-CG2 4.02Å; L499-L504 HydrophobicContact CB-CD1 3.74Å; L499-L504 HydrophobicContact CD1-CD1 4.05Å; L499-L513 HydrophobicContact CD1-CD1 3.6Å
500D56.9Low63.4Low88 Ų8896.7 Ų96.747%0.47150%0.502SS..  trans-56.7133.5173.5-165.1-52.3000109.7R502 I503 L504D500-R502 PolarHBondContact O-N 3.34Å; D500-R502 PolarHBondContact OD1-N 3.09Å; D500-I503 HydrophobicContact CB-CD1 3.91Å; D500-I503 HydrophobicContact CB-CG1 4.07Å; D500-I503 WeakPolarHBondContact O-CB 3.48Å; D500-I503 PolarHBondContact O-N 3.42Å; D500-L504 PolarHBondContact O-N 3.31Å; D500-L504 VanDerWaalsContact O-N 3.16Å
501P62.2Low64Low104 Ų10492 Ų9268%0.67549%0.493SS*.Hα-helixtrans-50.7-32-179.9-27.632.7000114L504 Q505P501-L504 PolarHBondContact O-N 2.94Å; P501-Q505 PolarHBondContact O-N 3.39Å; P501-Q505 VanDerWaalsContact O-N 3.14Å
502R67.8Low65Low200 Ų20088.5 Ų88.576%0.75548%0.479SS*.Hα-helixtrans-69-36.1178.3-65.3-178.9177.8-173.4-0.3112.7D500 Q505 Q506D500-R502 PolarHBondContact O-N 3.34Å; D500-R502 PolarHBondContact OD1-N 3.09Å; R502-Q505 PolarHBondContact O-N 3.12Å; R502-Q506 PolarHBondContact O-N 3.37Å; R502-Q506 VanDerWaalsContact O-N 3.13Å
503I65.9Low65.6Low74 Ų7488 Ų8838%0.37948%0.477SS..Hα-helixtrans-71.6-39.1177.3-61173.7000109.7L499 D500 Q505 Q506 M507L499-I503 HydrophobicContact CD2-CG2 4.02Å; D500-I503 HydrophobicContact CB-CD1 3.91Å; D500-I503 HydrophobicContact CB-CG1 4.07Å; D500-I503 WeakPolarHBondContact O-CB 3.48Å; D500-I503 PolarHBondContact O-N 3.42Å; I503-Q505 VanDerWaalsContact C-N 3.26Å; I503-Q505 PolarHBondContact O-N 3.21Å; I503-Q506 PolarHBondContact O-N 3.47Å; I503-M507 HydrophobicContact CG2-CG 4.46Å; I503-M507 HydrophobicContact CG2-SD 4.09Å; I503-M507 WeakPolarHBondContact O-CB 3.49Å; I503-M507 WeakPolarHBondContact O-CG 3.37Å; I503-M507 PolarHBondContact O-N 3.19Å
504L62.2Low65.7Low42 Ų4286.7 Ų86.722%0.2247%0.47CS..Hα-helixtrans-62.7-35.5176.6-136.397.5000112L499 D500 P501 M507 G509 L513L499-L504 HydrophobicContact CB-CD1 3.74Å; L499-L504 HydrophobicContact CD1-CD1 4.05Å; D500-L504 PolarHBondContact O-N 3.31Å; D500-L504 VanDerWaalsContact O-N 3.16Å; P501-L504 PolarHBondContact O-N 2.94Å; L504-M507 PolarHBondContact O-N 3.37Å; L504-G509 VanDerWaalsContact O-CA 3.3Å; L504-G509 WeakPolarHBondContact O-CA 3.17Å; L504-G509 PolarHBondContact O-N 3.28Å; L504-L513 HydrophobicContact CD1-CD1 4.48Å
505Q70Confident66.2Low161 Ų16188.3 Ų88.375%0.75247%0.474SS*.Hα-helixtrans-73.3-38.3177.9-153.2173.514.600112.1P501 R502 I503 M507 G508P501-Q505 PolarHBondContact O-N 3.39Å; P501-Q505 VanDerWaalsContact O-N 3.14Å; R502-Q505 PolarHBondContact O-N 3.12Å; I503-Q505 VanDerWaalsContact C-N 3.26Å; I503-Q505 PolarHBondContact O-N 3.21Å; Q505-M507 VanDerWaalsContact C-N 3.3Å; Q505-M507 PolarHBondContact O-N 2.95Å; Q505-G508 PolarHBondContact O-N 3.44Å
506Q66.2Low67.2Low175 Ų17589 Ų8982%0.81848%0.477SS*.Hα-helixtrans-66.6-30172.1-96.3-176-17.600113.3R502 I503 G508R502-Q506 PolarHBondContact O-N 3.37Å; R502-Q506 VanDerWaalsContact O-N 3.13Å; I503-Q506 PolarHBondContact O-N 3.47Å; Q506-G508 VanDerWaalsContact C-N 3.3Å; Q506-G508 PolarHBondContact O-N 3.48Å
507M59.8Low67.5Low57 Ų5789 Ų8928%0.28147%0.471SS..THydrogen-bonded Turntrans-86.214.9178.7-72.7-174.869.400114.1I503 L504 Q505 G509 G512 L513 M516I503-M507 HydrophobicContact CG2-CG 4.46Å; I503-M507 HydrophobicContact CG2-SD 4.09Å; I503-M507 WeakPolarHBondContact O-CB 3.49Å; I503-M507 WeakPolarHBondContact O-CG 3.37Å; I503-M507 PolarHBondContact O-N 3.19Å; L504-M507 PolarHBondContact O-N 3.37Å; Q505-M507 VanDerWaalsContact C-N 3.3Å; Q505-M507 PolarHBondContact O-N 2.95Å; M507-G509 VanDerWaalsContact C-N 3.33Å; M507-G509 PolarHBondContact O-N 2.92Å; M507-G512 CarbonylContact O-C 3.59Å; M507-G512 WeakPolarHBondContact O-CA 3.41Å; M507-L513 HydrophobicContact CE-CD1 4.39Å; M507-L513 HydrophobicContact CE-CG 4.47Å; M507-M516 HydrophobicContact CE-CE 4.42Å; M507-M516 HydrophobicContact CE-SD 3.34Å; M507-M516 WeakPolarHBondContact CE-SD 3.36Å
508G74.2Confident67.8Low50 Ų5089 Ų8952%0.51547%0.466SS..THydrogen-bonded Turntrans69.229.8179.300000113.9Q505 Q506 G512Q505-G508 PolarHBondContact O-N 3.44Å; Q506-G508 VanDerWaalsContact C-N 3.3Å; Q506-G508 PolarHBondContact O-N 3.48Å; G508-G512 PolarHBondContact O-N 2.94Å
509G75.9Confident68Low24 Ų2488.6 Ų88.625%0.24746%0.456CS..Hα-helixtrans62.3-154-179.400000113.3L504 M507 A511 G512 L513L504-G509 VanDerWaalsContact O-CA 3.3Å; L504-G509 WeakPolarHBondContact O-CA 3.17Å; L504-G509 PolarHBondContact O-N 3.28Å; M507-G509 VanDerWaalsContact C-N 3.33Å; M507-G509 PolarHBondContact O-N 2.92Å; G509-A511 PolarHBondContact O-N 2.93Å; G509-G512 PolarHBondContact O-N 3.22Å; G509-L513 PolarHBondContact O-N 3.38Å
510M66.8Low68.2Low97 Ų9792.4 Ų92.448%0.47848%0.476SS..Hα-helixtrans-59.9-27.9177.9-87.3-69.7-76.300113.3Q514M510-Q514 PolarHBondContact O-N 3.06Å
511A74.2Confident68.3Low60 Ų6094.4 Ų94.450%0.49648%0.482SS..Hα-helixtrans-70.2-45.3-179.700000112G509 L513 Q514 N515G509-A511 PolarHBondContact O-N 2.93Å; A511-L513 VanDerWaalsContact C-N 3.34Å; A511-Q514 PolarHBondContact O-N 3.44Å; A511-N515 PolarHBondContact O-N 3.25Å
512G75.3Confident68Low20 Ų2092.9 Ų92.921%0.20648%0.478CS..Hα-helixtrans-72.7-27.8177.800000113.1M507 G508 G509 N515 M516M507-G512 CarbonylContact O-C 3.59Å; M507-G512 WeakPolarHBondContact O-CA 3.41Å; G508-G512 PolarHBondContact O-N 2.94Å; G509-G512 PolarHBondContact O-N 3.22Å; G512-N515 PolarHBondContact O-N 2.76Å; G512-M516 WeakPolarHBondContact O-CB 3.18Å; G512-M516 PolarHBondContact O-N 3.43Å
513L71.8Confident66.7Low14 Ų1486.8 Ų86.87%0.07348%0.478CS..Hα-helixtrans-67.1-37.9170.5-150135.2000112.1L499 L504 M507 G509 A511 M517L499-L513 HydrophobicContact CD1-CD1 3.6Å; L504-L513 HydrophobicContact CD1-CD1 4.48Å; M507-L513 HydrophobicContact CE-CD1 4.39Å; M507-L513 HydrophobicContact CE-CG 4.47Å; G509-L513 PolarHBondContact O-N 3.38Å; A511-L513 VanDerWaalsContact C-N 3.34Å; L513-M517 WeakPolarHBondContact O-CB 3.39Å; L513-M517 WeakPolarHBondContact O-CG 3.08Å; L513-M517 PolarHBondContact O-N 2.99Å
514Q71.5Confident65.3Low109 Ų10986.8 Ų86.851%0.50950%0.496SS..Hα-helixtrans-65.1-40171-85.6179.9-18.500112.8M510 A511 M517 R518M510-Q514 PolarHBondContact O-N 3.06Å; A511-Q514 PolarHBondContact O-N 3.44Å; Q514-M517 PolarHBondContact O-N 2.74Å; Q514-R518 PolarHBondContact O-N 3.06Å
515N74.2Confident64Low95 Ų9588.6 Ų88.651%0.50853%0.525SS..Hα-helixtrans-67.9-39.5176.8-77.4-15.6000112.2A511 G512 R518 Q519A511-N515 PolarHBondContact O-N 3.25Å; G512-N515 PolarHBondContact O-N 2.76Å; N515-R518 PolarHBondContact O-N 2.65Å; N515-Q519 PolarHBondContact O-N 3Å
516M71.1Confident62.3Low98 Ų9889.5 Ų89.548%0.48353%0.527SS..Hα-helixtrans-63.9-41.7174.8-166.7-171.7-151.900111.5M507 G512 R518 Q519 L520M507-M516 HydrophobicContact CE-CE 4.42Å; M507-M516 HydrophobicContact CE-SD 3.34Å; M507-M516 WeakPolarHBondContact CE-SD 3.36Å; G512-M516 WeakPolarHBondContact O-CB 3.18Å; G512-M516 PolarHBondContact O-N 3.43Å; M516-R518 VanDerWaalsContact C-N 3.35Å; M516-R518 PolarHBondContact O-N 2.81Å; M516-Q519 PolarHBondContact O-N 3.35Å; M516-L520 HydrophobicContact CG-CD1 4.35Å; M516-L520 WeakPolarHBondContact O-CB 3.49Å; M516-L520 PolarHBondContact O-N 3.37Å
517M67.1Low60.9Low41 Ų4183.7 Ų83.720%0.20251%0.514CS..Hα-helixtrans-64.4-37.4175-79.4-80-108.100112.2M488 N492 L513 Q514 L520 Q521M488-M517 HydrophobicContact CE-CE 4.31Å; M488-M517 HydrophobicContact SD-CE 3.43Å; M488-M517 WeakPolarHBondContact SD-CE 3.34Å; M488-M517 HydrophobicContact SD-SD 4.5Å; N492-M517 VanDerWaalsContact OD1-CE 3.26Å; N492-M517 WeakPolarHBondContact OD1-CE 3.34Å; L513-M517 WeakPolarHBondContact O-CB 3.39Å; L513-M517 WeakPolarHBondContact O-CG 3.08Å; L513-M517 PolarHBondContact O-N 2.99Å; Q514-M517 PolarHBondContact O-N 2.74Å; M517-L520 PolarHBondContact O-N 2.77Å; M517-Q521 PolarHBondContact O-N 3.06Å
518R71.9Confident60Low184 Ų18487.3 Ų87.369%0.69454%0.542SS*.Hα-helixtrans-63.6-42.5171.6-83.4-176.9178.8169.40.1112.2Q514 N515 M516 Q521 A522Q514-R518 PolarHBondContact O-N 3.06Å; N515-R518 PolarHBondContact O-N 2.65Å; M516-R518 VanDerWaalsContact C-N 3.35Å; M516-R518 PolarHBondContact O-N 2.81Å; R518-Q521 PolarHBondContact O-N 3.05Å; R518-A522 VanDerWaalsContact O-CB 3.3Å; R518-A522 WeakPolarHBondContact O-CB 3.37Å; R518-A522 PolarHBondContact O-N 3.2Å
519Q68.8Low58.3Low119 Ų11995.1 Ų95.156%0.55656%0.562SS**Hα-helixtrans-66.1-38.2176.2-84.6-178.5-6.300112.6N515 M516 A522N515-Q519 PolarHBondContact O-N 3Å; M516-Q519 PolarHBondContact O-N 3.35Å; Q519-A522 PolarHBondContact O-N 3.03Å
520L57.9Low56.5Low129 Ų12997.2 Ų97.268%0.67558%0.584SS**Hα-helixtrans-68.5-35176-87.1162.5000112.7M516 M517 A522M516-L520 HydrophobicContact CG-CD1 4.35Å; M516-L520 WeakPolarHBondContact O-CB 3.49Å; M516-L520 PolarHBondContact O-N 3.37Å; M517-L520 PolarHBondContact O-N 2.77Å; L520-A522 VanDerWaalsContact C-N 3.31Å
521Q59.3Low55Low130 Ų13096.8 Ų96.861%0.60760%0.604SS**Hα-helixtrans-72.6-23.8172.2-82.2-172.3-24.600113.2M517 R518 G523M517-Q521 PolarHBondContact O-N 3.06Å; R518-Q521 PolarHBondContact O-N 3.05Å; Q521-G523 VanDerWaalsContact C-N 3.3Å; Q521-G523 PolarHBondContact O-N 3.33Å
522A57.1Low53.2Low71 Ų7197.8 Ų97.859%0.58762%0.62SS**THydrogen-bonded Turntrans-82.41.4-175.900000114.9R518 Q519 L520 G524R518-A522 VanDerWaalsContact O-CB 3.3Å; R518-A522 WeakPolarHBondContact O-CB 3.37Å; R518-A522 PolarHBondContact O-N 3.2Å; Q519-A522 PolarHBondContact O-N 3.03Å; L520-A522 VanDerWaalsContact C-N 3.31Å; A522-G524 PolarHBondContact O-N 3.09Å; A522-G524 VanDerWaalsContact O-N 3.12Å
523G38.9Very low51.4Low73 Ų73100.9 Ų100.975%0.75365%0.652SS**  trans30.969.416200000116.5Q521Q521-G523 VanDerWaalsContact C-N 3.3Å; Q521-G523 PolarHBondContact O-N 3.33Å
524G37.2Very low50Low74 Ų74104.3 Ų104.376%0.76369%0.691SS**SBendtrans149.2118.9169.400000115.1A522A522-G524 PolarHBondContact O-N 3.09Å; A522-G524 VanDerWaalsContact O-N 3.12Å
525G34.3Very low48.6Very low80 Ų80102.8 Ų102.883%0.82570%0.704SS**  trans84.894.8157.300000116.8
526F36Very low46.9Very low179 Ų179109.8 Ų109.879%0.78572%0.724SS**  trans-89.298.7156.4-109.1-88.6000108.7
527G35.9Very low45.7Very low54 Ų54113.8 Ų113.856%0.55775%0.746SS**  trans-93.4144.6158.700000109.9F529G527-F529 PolarHBondContact O-N 2.96Å
528P41.8Very low45Very low132 Ų132119.1 Ų119.186%0.85781%0.811SS**  trans-80.8118.1-172.930.4-30.6000111.4
529F38.4Very low43.6Very low215 Ų215115.9 Ų115.994%0.94382%0.817SS**  trans-88.2104.1164-108.1-88.7000109G527G527-F529 PolarHBondContact O-N 2.96Å
530G37.8Very low42.3Very low68 Ų68115.7 Ų115.770%0.70183%0.831SS**  trans-89.9152.5160.300000111
531G35.4Very low41.5Very low87 Ų87114.9 Ų114.990%0.89784%0.839SS**  trans97118.7154.500000115.9
532G36.8Very low40.4Very low82 Ų82114.1 Ų114.185%0.84585%0.853SS**  trans152.693.2151.700000116.1
533G37.5Very low39.4Very low85 Ų85116.8 Ų116.888%0.87687%0.87SS**  trans73.5128.4147.600000116.6
534G40.5Very low39.4Very low86 Ų86119.7 Ų119.789%0.88788%0.877SS**  cis99.7114.332.500000109.8
535G43.4Very low39.6Very low76 Ų76122.9 Ų122.978%0.78489%0.886SS**  trans10993.317200000112.8
536R37.3Very low40Very low243 Ų243126.2 Ų126.292%0.91789%0.89SS**  60.8112.171.9-148.6-175.3-168.9-159.92.6112.3
537L45.9Very low40.3Very low181 Ų181121.8 Ų121.895%0.94890%0.899SS**  trans167127.6136.7-87.9179.4000109.5
538G53Low40.7Very low153 Ų153128 Ų128100%1.57793%0.93SS**  trans135.70-17900000111.8

Retrieved 538 of 538 residues in 171 ms (Link to these results)

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